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Search results for: '41447-17-0'
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C17 Ceramide (d18:1/17:0)
Cas Number: 67492-16-4Formula: C35H69NO3Molecular weight: 551.93Synonyms: N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide | N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-e...SMILES: CCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)OInChIKey: ICWGMOFDULMCFL-QKSCFGQVSA-NInChI: See more
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17-oxapentacyclo[6.6.5.0(2，7).0(9，14).0(15，19)]-nonadeca-2，4，6，9，11，13-hexaene-16，18-dione
Cas Number: 5443-16-3Formula: C18H12O3Molecular weight: 276.29SMILES: C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)OC4=OInChIKey: PSKVQQJLLWSBFV-UHFFFAOYSA-NInChI: InChI=1S/C18H12O3/c19-17-15-13-9-5-1-2-6-10(9)14(16(15)18(20)21-17)12-8-4-3-7-11(12)13/h1-8,13-16H
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14-(4-chlorophenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23eSMILES: Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1InChIKey: FODONWGPMXPGNC-UHFFFAOYSA-NInChI: InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2
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(5S)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23hSMILES: C[C@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)ClInChIKey: LFUPTQIEOBBAJE-VIFPVBQESA-NInChI: InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1
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14-(4-methoxyphenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23cSMILES: COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1InChIKey: KUCDOJMOTMEEOF-UHFFFAOYSA-NInChI: InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3
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(5R)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 23iSMILES: C[C@@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)ClInChIKey: LFUPTQIEOBBAJE-SECBINFHSA-NInChI: InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1
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(R)-1-Methylpiperidine-2-carboxylic acid
Cas Number: 41447-17-0 EC Number: 820-684-1Formula: C7H13NO2Molecular weight: 143.18SMILES: CN1CCCCC1C(=O)OInChIKey: BPSLZWSRHTULGU-ZCFIWIBFSA-NInChI: InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
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1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine
Cas Number: 50930-23-9Formula: C25H52NO7PMolecular weight: 509.657Synonyms: 3,5,9-Trioxa-4-phosphahexacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxid...SMILES: CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OInChIKey: SRRQPVVYXBTRQK-XMMPIXPASA-NInChI: InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/t24-/m1/s1
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1,2-diheptadecanoyl-sn-glycero-3-phosphocholine
Cas Number: 70897-27-7Formula: C42H84NO8PMolecular weight: 762.092Synonyms: PC(17:0/17:0)SMILES: CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCInChIKey: RTWAYAIMWLNAJW-RRHRGVEJSA-NInChI: InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
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1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine
Cas Number: 140219-78-9Formula: C39H78NO8PMolecular weight: 720.012Synonyms: 2-Azaniumylethyl (2R)-2,3-bis(heptadecanoyloxy)propyl phosphate|phosphatidylethanolamine 17:0/17:0|D...SMILES: CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCInChIKey: YSFFAUPDXKTJMR-DIPNUNPCSA-NInChI: InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
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Voacamine
Cas Number: 3371-85-5Formula: C43H52N4O5Molecular weight: 704.9Synonyms: CHEBI:10014 | methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-(methoxycarbonyl...SMILES: CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)C(=O)OCInChIKey: VCMIRXRRQJNZJT-XRMSBCOFSA-NInChI: See more
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danazol, Agonist of Androgen receptor
Cas Number: 17230-88-5 EC Number: MFCD00056838Formula: C22H27NO2Molecular weight: 337.46Synonyms: 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol} | N29QWW3BUO | (1S,2R,13R,14S,17R,18S)-17-e...SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5InChIKey: POZRVZJJTULAOH-LHZXLZLDSA-NInChI: InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
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trans-Dehydroandrosterone
Formula: C19H28O2Molecular weight: 288.43Synonyms: Dehydroepiandrosterone|DHEA|PRASTERONE|53-43-0|Dehydroisoandrosterone|Androstenolone|trans-Dehydroan...SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)CInChIKey: FMGSKLZLMKYGDP-USOAJAOKSA-NInChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
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17-phenyl-Ω-trinor-PGE₂, Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor
Synonyms: DTXSID80274308 | BRD-K90214371-001-02-0 | 9-oxo-11R,15S-dihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-p...SMILES: OC(=O)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)OInChIKey: FOBVMYJQWZOGGJ-XYRJXBATSA-NInChI: InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
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17-phenyl trinor Prostaglandin E₂, Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor
Cas Number: 38315-43-4Formula: C23H30O5Molecular weight: 386.48Synonyms: DTXSID80274308 | BRD-K90214371-001-02-0 | 9-oxo-11R,15S-dihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-p...SMILES: C1C(C(C(C1=O)CC=CCCCC(=O)O)C=CC(CCC2=CC=CC=C2)O)OInChIKey: FOBVMYJQWZOGGJ-XYRJXBATSA-NInChI: InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1
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4-Chloro-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazoline
Cas Number: 1204313-58-5Formula: C14H15N2O4ClMolecular weight: 310.73Synonyms: BUXRNECOVLCHCM-UHFFFAOYSA-N | 4-chloro-7h,8h,10h,11h,13h,14h-1,4,7,10-tetraoxacyclododeca[2,3-g]quin...SMILES: C1COCCOC2=C(C=C3C(=C2)N=CN=C3Cl)OCCO1InChIKey: BUXRNECOVLCHCM-UHFFFAOYSA-NInChI: InChI=1S/C14H15ClN2O4/c15-14-10-7-12-13(8-11(10)16-9-17-14)21-6-4-19-2-1-18-3-5-20-12/h7-9H,1-6H2
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α-Estradiol
Formula: C18H24O2Molecular weight: 272.39Synonyms: 17alpha-Estradiol|57-91-0|Alfatradiol|alpha-Estradiol|Epiestradiol|17a-estradiol|17-alpha-Estradiol|...SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OInChIKey: VOXZDWNPVJITMN-SFFUCWETSA-NInChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
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Clobetasone Butyrate
Cas Number: 25122-57-0Formula: C26H32ClFO5Molecular weight: 478.98Synonyms: clobetasone butyrate|25122-57-0|Clobetasone 17-butyrate|CCI 5537|Kindavate|GR 2/1214|8U0H6XI6EO|21-C...SMILES: CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CClInChIKey: FBRAWBYQGRLCEK-AVVSTMBFSA-NInChI: InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1
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Allylestrenol
Cas Number: 432-60-0Formula: C21H32OMolecular weight: 300.48Synonyms: allylestrenol|432-60-0|Gestanin|Gestanon|Allyloestrenol|Gestanol|Orageston|Turinal|Organon|Gestanyn|...SMILES: CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34InChIKey: ATXHVCQZZJYMCF-XUDSTZEESA-NInChI: InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
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(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5,7-dioxapentacyclo[10.8.0.0²⁹.0⁴⁸.0¹³¹⁸]icosa-14,17-dien-16-one
Cas Number: 1040085-98-0Formula: C23H30O6Molecular weight: 402.48SMILES: OCC(=O)[C@]12[C@]3(C)[C@](C[C@@]1([H])OC(C)O2)([H])[C@@]4([H])[C@@]([C@@H](O)C3)([H])[C@]5(C)C(=CC(=O)C=C5)CC4InChIKey: XECSEFPWNHDQPG-XWCIIUPVSA-NInChI: InChI=1S/C23H30O6/c1-12-28-19-9-16-15-5-4-13-8-14(25)6-7-21(13,2)20(15)17(26)10-22(16,3)23(19,29-12)18(27)11-24/h6-8,12,15-17,19-20,24,26H,4-5,9-11H2,1-3H3/t12?,15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
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(1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-diene-11,16-dione
Cas Number: 216453-74-6Formula: C25H32O6Molecular weight: 428.5SMILES: [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])C(=O)C[C@]3(C)[C@@]1(OC(CCC)O2)C(=O)COInChIKey: NTERSHSWHLAIHV-ADKFLVHOSA-NInChI: InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-17,20-22,26H,4-7,11-13H2,1-3H3/t16-,17-,20+,21?,22+,23-,24-,25+/m0/s1
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(15R)-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0²⁷.0¹²¹⁸]octadeca-1(10),2(7),3,8,12(18)-pentaene-5,13-dione
Cas Number: 1887069-93-3SMILES: C[C@H]1NC(=O)C2=C(NC1)C3C4=C(NC(=O)C=C4)C=CC=3S2
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Absinthin, Agonist of TAS2R30;Agonist of TAS2R46
Cas Number: 1362-42-1Formula: C30H40O6Molecular weight: 496.64Synonyms: Absinthin|1362-42-1|Absinthiin|Absynthin|(+)-absinthin|OE5992O64P|(1R,2R,5S,8S,9S,12S,13R,14S,15S,16...SMILES: CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)OInChIKey: PZHWYURJZAPXAN-ILOFNVQHSA-NInChI: See more
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1 Citations 