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Search results for: '13(4)247'
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2-Pentyl-2-cyclopenten-1-one
Cas Number: 25564-22-1Formula: C10H16OMolecular weight: 152.24Synonyms: Q27252921 | EC 247-104-4 | HMS2230O19 | EN300-18643 | Tox21_303448 | 2-Pentyl-2-Cyclopentene-1-One |...SMILES: CCCCCC1=CCCC1=OInChIKey: ILHZVKAXFCDFMT-UHFFFAOYSA-NInChI: InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3
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2-(Aminomethyl)-1-ethylpyrrolidine
Cas Number: 26116-12-1 EC Number: 247-466-3Formula: C7H16N2Molecular weight: 128.22Synonyms: FT-0649584 | EINECS 247-466-3 | PB19842 | (-)-1-ethyl-2-aminomethylpyrrolidine | 1-({[2,6-bis(propan...SMILES: CCN1CCCC1CNInChIKey: UNRBEYYLYRXYCG-UHFFFAOYSA-NInChI: InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
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Ethyl 4-methyl-2-oxopentanoate
Cas Number: 26073-09-6Formula: C8H14O3Molecular weight: 158.2Synonyms: ethyl 4-methyl-2-oxopentanoate|26073-09-6|Ethyl 4-methyl-2-oxovalerate|7S475RX6T2|Pentanoic acid, 4-...SMILES: CCOC(=O)C(=O)CC(C)CInChIKey: MGSWAHQQBHNCEI-UHFFFAOYSA-NInChI: InChI=1S/C8H14O3/c1-4-11-8(10)7(9)5-6(2)3/h6H,4-5H2,1-3H3
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2-tert-Butyl-4-methylphenol
Formula: C11H16OMolecular weight: 164.24Synonyms: 2-tert-Butyl-4-cresol | FT-0613429 | NSC60301 | NSC-60301 | EINECS 247-108-6 | DTXCID00212 | Tox21_2...SMILES: CC1=CC(=C(C=C1)O)C(C)(C)CInChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-NInChI: InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
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H-Glu-OtBu
Cas Number: 45120-30-7Formula: C9H17NO4Molecular weight: 203.24Synonyms: EINECS 247-005-6 | L-Glutamic acid a-tert-butyl ester | a-tert-Butyl L-glutamate | L-Glu-OtBu | MFCD...SMILES: CC(C)(C)OC(=O)C(CCC(=O)O)NInChIKey: QVAQMUAKTNUNLN-LURJTMIESA-NInChI: InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-/m0/s1
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1-Hexanol
Formula: C6H14OMolecular weight: 102.18Synonyms: BDBM9 | FEMA Number 2567 | Hexalcohol | Hexyl alcohol | NCGC00256385-01 | 1-Hexanol, analytical stan...SMILES: CCCCCCOInChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-NInChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
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2-Ethyl-3-methoxypyrazine
Cas Number: 25680-58-4Formula: C7H10N2OMolecular weight: 138.17Synonyms: W-107227 | DPCILIMHENXHQX-UHFFFAOYSA-N | EINECS 247-184-0 | 2-methoxy-3-ethyl pyrazine | SCHEMBL1607...SMILES: CCC1=NC=CN=C1OCInChIKey: DPCILIMHENXHQX-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
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5-Chloroindoline
Cas Number: 25658-80-4Formula: C8H8ClNMolecular weight: 153.6Synonyms: 5-Chloroindoline|25658-80-4|5-Chloro-2,3-dihydro-1H-indole|5-chloro-2,3-dihydro-(1h)-indole|1H-Indol...SMILES: C1CNC2=C1C=C(C=C2)ClInChIKey: YMCIVAPEOZDEGH-UHFFFAOYSA-NInChI: InChI=1S/C8H8ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
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5-Chloro-2,3,3-trimethyl-3H-indole
Cas Number: 25981-83-3Formula: C11H12ClNMolecular weight: 193.7Synonyms: 5-Chloro-2,3,3-trimethyl-3H-indole|25981-83-3|5-chloro-2,3,3-trimethylindole|3H-Indole, 5-chloro-2,3...SMILES: CC1=NC2=C(C1(C)C)C=C(C=C2)ClInChIKey: GSKATGIMEUGNJN-UHFFFAOYSA-NInChI: InChI=1S/C11H12ClN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
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Methyl 2-oxo-2H-pyran-3-carboxylate
Cas Number: 25991-27-9Formula: C7H6O4Molecular weight: 154.12Synonyms: DTXSID40180653 | (methoxycarbonyl)pyranone | 3-Carbomethoxy-2-Pyrone | PS-9796 | Methyl 2-pyrone-3-c...SMILES: COC(=O)C1=CC=COC1=OInChIKey: GJVZWOMUTYNUCE-UHFFFAOYSA-NInChI: InChI=1S/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3
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Sulfamethoxazole-13C6
Cas Number: 1196157-90-0 EC Number: 689-544-3Formula: 13C6C4H11N3O3SMolecular weight: 259.23Synonyms: 1196157-90-0 | Benzene-1,2,3,4,5,6-13C6-sulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)- | MS-23591 |...SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NInChIKey: JLKIGFTWXXRPMT-AHBHZWPESA-NInChI: InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)/i2+1,3+1,4+1,5+1,8+1,9+1
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Benzyl Butyl Ketone
Cas Number: 25870-62-6Formula: C12H16OMolecular weight: 176.26Synonyms: AKOS009157724 | DTXSID301315661 | 1-phenyl-hexan-2-one | 1-Phenylhexan-2-one | EINECS 247-306-2 | MF...SMILES: CCCCC(=O)CC1=CC=CC=C1InChIKey: DYQAZJQDLPPHNB-UHFFFAOYSA-NInChI: InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
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(5S)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(13),2,4(9),14,16,21,23-heptaene-6,10-dione, Inhibitor of DNA topoisomerase I
Cas Number: 104155-89-7Synonyms: 10,11-CH2O2-Camptothecin | Krezidin | (5S)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11....SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cc5OCOc5cc4cc3Cn1c2=OInChIKey: RPFYDENHBPRCTN-NRFANRHFSA-NInChI: InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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UNC6852
Cas Number: 2688842-08-0(DMSO)Formula: C43H48N10O6SMolecular weight: 832.97SMILES: O=C(C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)NCCCC(N[C@H](C(N5[C@@H](C[C@H](C5)O)C(NCC6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)C(C)(C)C)=O
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UNC6852
Cas Number: 2688842-08-0Formula: C43H48N10O6SMolecular weight: 832.97SMILES: O=C(C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)NCCCC(N[C@H](C(N5[C@@H](C[C@H](C5)O)C(NCC6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)C(C)(C)C)=O
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13-OxoODE
Cas Number: 54739-30-9Formula: C18H30O3Molecular weight: 294.43Synonyms: 13-OxoODE | 13-OXO-ODE | 13-keto-9Z,11E-octadecadienoic acid | BDBM50045522 | PD020944 | 4-Amino-2-s...SMILES: CCCCCC(=O)C=CC=CCCCCCCCC(=O)OInChIKey: JHXAZBBVQSRKJR-BSZOFBHHSA-NInChI: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
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4-Butoxybenzaldehyde
Formula: C11H14O2Molecular weight: 178.23Synonyms: NSC 508762 | 2-Chloropropanamide # | Z57887685 | 4-Butoxybenzaldehyde | 4-butoxy-benzaldehyde | A831...SMILES: CCCCOC1=CC=C(C=C1)C=OInChIKey: XHWMNHADTZZHGI-UHFFFAOYSA-NInChI: InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3
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Carbon-13C
Cas Number: 14762-74-4Formula: 13CMolecular weight: 13Synonyms: (13C)-Methane|(13C)Methane|[13C]-Methane|Methane (13C)|Methane-13C|Carbon-13|Carbon-13C|carbane|1476...SMILES: CInChIKey: VNWKTOKETHGBQD-OUBTZVSYSA-NInChI: InChI=1S/CH4/h1H4/i1+1
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A-794282, Allosteric modulator of mGlu 1 receptor
Cas Number: 869802-44-8Formula: C19H18N4OSMolecular weight: 350.44Synonyms: 13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,...SMILES: CCc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)CInChIKey: VCUKKMIXURRDKL-UHFFFAOYSA-NInChI: InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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W-13 hydrochloride
Cas Number: 88519-57-7Formula: C14H17ClN2O2S•HClMolecular weight: 349.27Synonyms: N-(4-aminobutyl)-5-chloro-2-naphthalene sulfonamide hydro chloride | N-(4-Aminobutyl)-5-chloro-2-nap...SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)NCCCCN)C(=C1)Cl.ClInChIKey: QKAALLVQBOLELJ-UHFFFAOYSA-NInChI: InChI=1S/C14H17ClN2O2S.ClH/c15-14-5-3-4-11-10-12(6-7-13(11)14)20(18,19)17-9-2-1-8-16;/h3-7,10,17H,1-2,8-9,16H2;1H
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Steviol
Cas Number: 471-80-7(DMSO)Formula: C20H30O3Molecular weight: 318.5Synonyms: Steviol|471-80-7|Hydroxydehydrostevic acid|(-)-Steviol|NSC 226902|4741LYX6RT|(4R)-13-Hydroxykaur-16-...SMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O)OInChIKey: QFVOYBUQQBFCRH-VQSWZGCSSA-NInChI: InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1
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Dovitinib (TKI258) Lactate
Cas Number: 915769-50-5Formula: C24H29FN6O5Molecular weight: 500.53Synonyms: InChI=1/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3 | BCP072...SMILES: CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N.OInChIKey: QDPVYZNVVQQULH-UHFFFAOYSA-NInChI: See more
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SBE 13 hydrochloride
Cas Number: 1052532-15-6Formula: C24H28Cl2N2O4Molecular weight: 479.4Synonyms: 1052532-15-6|SBE13 hydrochloride|SBE 13 hydrochloride|SBE 13 HCl|SBE13 (Hydrochloride)|SBE-13 HCl|N-...SMILES: COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC)OC.ClInChIKey: QBGSVDJLQQXEGG-UHFFFAOYSA-NInChI: InChI=1S/C24H27ClN2O4.ClH/c1-28-20-7-4-17(12-22(20)29-2)10-11-26-14-18-5-8-21(23(13-18)30-3)31-16-19-6-9-24(25)27-15-19;/h4-9,12-13,15,26H,10-11,14,16H2,1-3H3;1H
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6 Citations 
