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Search results for: '1329652-13-2'
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5,8,11-Trioxa-2-azatridecanoic,13-amino,1,1-dimethylethyl ester
Cas Number: 101187-40-0Formula: C13H28N2O5Molecular weight: 292.37Synonyms: CUPBLDPRUBNAIE-UHFFFAOYSA-N | Tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate | A...SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCNInChIKey: CUPBLDPRUBNAIE-UHFFFAOYSA-NInChI: InChI=1S/C13H28N2O5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11,14H2,1-3H3,(H,15,16)
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SARS-CoV-2-IN-13
Cas Number: 56961-10-5Formula: C13H8Cl2N2O4Molecular weight: 327.12SMILES: O=C(C1=C(C=CC(Cl)=C1)O)NC2=CC(Cl)=C(C=C2)[N+]([O-])=O
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SARS-CoV-2-IN-13
Cas Number: 56961-10-5(DMSO)Formula: C13H8Cl2N2O4Molecular weight: 327.12SMILES: O=C(C1=C(C=CC(Cl)=C1)O)NC2=CC(Cl)=C(C=C2)[N+]([O-])=O
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γ-Tocopherol-d4
Cas Number: 1329652-13-2Formula: C28H44D4O2Molecular weight: 420.70SMILES: CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)OInChIKey: QUEDXNHFTDJVIY-HYPXHKDHSA-NInChI: InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1/i5D3,19D
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5-(4-methoxyphenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: 3S4N4U44G8 | 5-(4-Methoxyphenyl)-13-((prop-2-yn-1-yl)amino)-8-thia-3,5,10-triazatricyclo(7.4.0.0^(2,...SMILES: C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)OCInChIKey: WIAAIYJUCDAKFY-UHFFFAOYSA-NInChI: InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)
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5,8,11-Trioxa-2-azatridecan-13-ol
Cas Number: 90430-59-4Formula: C9H21NO4Molecular weight: 207.27Synonyms: 5,8,11-Trioxa-2-azatridecan-13-ol | SCHEMBL20548025 | AKOS030554694 | BS-51724 | HY-140162 | MeNH-PE...SMILES: CNCCOCCOCCOCCOInChIKey: JBLOFIJEJSEJCB-UHFFFAOYSA-NInChI: InChI=1S/C9H21NO4/c1-10-2-4-12-6-8-14-9-7-13-5-3-11/h10-11H,2-9H2,1H3
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(11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-di-1-pyrenyl-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin
Cas Number: 1225195-02-7Formula: C52H37O4PMolecular weight: 756.8Synonyms: (11bR)-4-Hydroxy-2,6-di(pyren-1-yl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]di...
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1-{4-[(2S)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl]piperidin-1-yl}-2-(piperidin-4-yl)ethan-1-one
Cas Number: 1099484-75-9Formula: C26H30Br2ClN3OMolecular weight: 595.8SMILES: C1CNCCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)ClInChIKey: FVZHXOFDPYQOAY-VWLOTQADSA-NInChI: InChI=1S/C26H30Br2ClN3O/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)31-15-20)17-5-9-32(10-6-17)23(33)11-16-3-7-30-8-4-16/h12-17,25,30H,1-11H2/t25-/m0/s1
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(11bR)-2,6-Bis([1,1'-biphenyl]-4-yl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin
Cas Number: 861909-35-5Formula: C44H37O4PMolecular weight: 660.7SMILES: C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC=C(C=C6)C7=CC=CC=C7)O)C8=CC=C(C=C8)C9=CC=CC=C9InChIKey: PSYQWXCLMOOLJM-UHFFFAOYSA-NInChI: See more
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13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 12eSMILES: COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1InChIKey: ZUUBRGCTXRXCLV-UHFFFAOYSA-NInChI: InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)
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(8R,9S,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol, Progesterone receptor agonist
Formula: C21H32OMolecular weight: 300.5Synonyms: Perselin | CHEMBL2105618SMILES: CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34InChIKey: ATXHVCQZZJYMCF-XZCODKSBSA-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+/m1/s1
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13-(dimethylamino)-5-(2-fluoro-4-methoxyphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 9nSMILES: COc1ccc(c(c1)F)n1cnc2c(c1=O)sc1c2c(ncn1)N(C)CInChIKey: XUSKBQJCEPMVBM-UHFFFAOYSA-NInChI: InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3
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5-(4-chlorophenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-9-(2-propynylamino)- | RWS6U82...SMILES: C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)ClInChIKey: MAYHTEHJUHRFSA-UHFFFAOYSA-NInChI: InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)
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13-amino-11-methyl-5-(4-methylphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 27SMILES: Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)CInChIKey: RIMQNIZNDUNPQK-UHFFFAOYSA-NInChI: InChI=1S/C16H13N5OS/c1-8-3-5-10(6-4-8)21-7-18-12-11-14(17)19-9(2)20-15(11)23-13(12)16(21)22/h3-7H,1-2H3,(H2,17,19,20)
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(8S,10S,13S,14S,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Formula: C37H50N6O2Molecular weight: 610.8Synonyms: (8S,10S,13S,14S,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dime...SMILES: CC12CC=C3C(C1CCC2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=CC83CInChIKey: LBGLGTAQLROFTM-IVXSZDMTSA-NInChI: See more
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13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 9aSMILES: COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)CInChIKey: KBKYZXCTHJUCOC-UHFFFAOYSA-NInChI: InChI=1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3
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13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 10iSMILES: COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ncn1)NC1CC1InChIKey: DBUMITZHDMTTNX-UHFFFAOYSA-NInChI: InChI=1S/C18H15N5O2S/c1-25-12-6-4-11(5-7-12)23-9-21-14-13-16(22-10-2-3-10)19-8-20-17(13)26-15(14)18(23)24/h4-10H,2-3H2,1H3,(H,19,20,22)
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13-(4-methoxyphenyl)-10-thia-3,8,13,15-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2(6),7,14-tetraen-12-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 11cSMILES: COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1InChIKey: SIUQQICXQVLRLA-UHFFFAOYSA-NInChI: InChI=1S/C18H16N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,15-16,19H,6-7H2,1H3
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2-[2-[(1S,2S,4R,7E,11S,12R)-12-[(dimethylamino)methyl]-4-methyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carbonyl]oxyethoxy]ethyl (1S,2S,4R,7E,11S)-12-[(dimethylamino)methyl]-4-methyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carb, Activator of pyruvate kinase M1/2
Synonyms: compound 16SMILES: CN(CC1C(=O)O[C@H]2[C@H]1CC/C(=C\CC[C@@]1([C@H]2O1)C)/C(=O)OCCOCCOC(=O)/C/1=C/CC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)[C@H](CN(C)C)C(=O)O2)CInChIKey: ZNXWRMSQZDHKCM-SBRQVZBJSA-NInChI: See more
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N-(pyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-1(13),2(6),3,10-tetraen-4-amine, Allosteric modulator of mGlu 4 receptor
Synonyms: compound 22aSMILES: c1ccc(nc1)Nc1sc2c(n1)c1c[nH]nc1CCC2InChIKey: DBISXWCOHGUFSF-UHFFFAOYSA-NInChI: InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)
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11,13-diamino-5-(4-methylphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one, Allosteric modulator of mGlu 1 receptor
Synonyms: compound 24SMILES: Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)NInChIKey: NGINYBBVZOLUBV-UHFFFAOYSA-NInChI: InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)
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(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-3-[3-[(7-chloroquinolin-4-yl)amino]propoxy]-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptameth
Synonyms: compound 2SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OCCCNc2ccnc3c2ccc(c3)Cl)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)OInChIKey: KZRUOZJPVVJKAE-ZPHCEPPYSA-NInChI: See more
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2-[(4aS,7R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]isoindole-1,3-dione, Mu opioid receptor partial agonist
Formula: C28H28N2O5Molecular weight: 472.5Synonyms: TAK-363 | TRK-130 | CHEMBL3545408 | TAK363SMILES: C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)N7C(=O)C8=CC=CC=C8C7=OInChIKey: DHAITNWJDOSRBU-RCSSWNHXSA-NInChI: See more
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(1S,2S,6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol, Kappa opioid receptor agonist
Formula: C29H41NO4Molecular weight: 467.6Synonyms: SCHEMBL15820 | BDBM50354578 | RMRJXGBAOAMLHD-CTAPUXPBSA-N | CHEMBL511142SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)OInChIKey: RMRJXGBAOAMLHD-CTAPUXPBSA-NInChI: See more
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