 | | A7E | | Name: | 3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C12 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2nc(C#C)c1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C12H14N5O7P/c1-2-5-7-10(13)14-4-15-11(7)17(16-5)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h1,4,6,8-9,12,18-19H,3H2,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 | | Synonyms: | 8-aza-7-deaza-7-ethynyl Adenosine | | Definition date: | 2013-11-22 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-02 | | Identifier: | 3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | ABM | | Name: | METHYL PHOSPHONIC ACID ADENOSINE ESTER | | Formula: | C11 H16 N5 O6 P | | SMILES: | O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C | | InChi: | InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | | Synonyms: | ALPHA-METHYLENE ADENOSINE MONOPHOSPHATE | | Definition date: | 1999-12-16 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine |
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 | | OAL | | Name: | (1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | | Formula: | C16 H10 O6 | | SMILES: | O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O | | InChi: | InChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19) | | Synonyms: | OXIDIZED ACETYL DITHRANOL | | Definition date: | 2002-12-12 | | Last modified: | 2021-03-01 | | Identifier: | (1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetic acid |
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 | | AD4 | | Name: | (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE | | Formula: | C47 H75 N O14 | | SMILES: | O=C(OC(C)(C)C)NCCCCCCCCCCCC(=O)OC2CC(OC(=O)C)(C1C(=C(C(OC(=O)C(=C/C)C)C1OC(=O)CCCCCCC)C)C3OC(=O)C(O)(C)C23O)C | | InChi: | InChI=1S/C47H75NO14/c1-11-13-14-20-23-27-35(51)58-39-37-36(31(4)38(39)59-41(52)30(3)12-2)40-47(56,46(10,55)42(53)60-40)33(29-45(37,9)61-32(5)49)57-34(50)26-24-21-18-16-15-17-19-22-25-28-48-43(54)62-44(6,7)8/h12,33,37-40,55-56H,11,13-29H2,1-10H3,(H,48,54)/b30-12-/t33-,37+,38-,39-,40-,45-,46+,47+/m0/s1 | | Synonyms: | ((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL) | | Definition date: | 2006-10-19 | | Last modified: | 2021-03-01 | | Identifier: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate |
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 | | ADL | | Name: | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | | Formula: | C16 H12 O5 | | SMILES: | O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3 | | InChi: | InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19) | | Synonyms: | ACETYL DITHRANOL | | Definition date: | 2002-12-12 | | Last modified: | 2021-03-01 | | Identifier: | (1,8-dihydroxy-9-oxo-9,10-dihydroanthracen-2-yl)acetic acid |
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 | | ADU | | Name: | 3'-DEOXY-3'-ACETAMIDO-URIDINE | | Formula: | C11 H15 N3 O6 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(NC(=O)C)C2O)CO | | InChi: | InChI=1S/C11H15N3O6/c1-5(16)12-8-6(4-15)20-10(9(8)18)14-3-2-7(17)13-11(14)19/h2-3,6,8-10,15,18H,4H2,1H3,(H,12,16)(H,13,17,19)/t6-,8-,9?,10-/m1/s1 | | Synonyms: | ((((3'-DEOXY-3'-URIDINYL)-AMINO)CARBONYL)METHYL) | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3'-(acetylamino)-3'-deoxyuridine |
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 | | OBE | | Name: | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | | Formula: | C16 H19 N O5 | | SMILES: | [O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2 | | InChi: | InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1 | | Synonyms: | META-OXYBENZOYLECGONINE | | Definition date: | 2003-11-20 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate |
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 | | OBG | | Name: | 6-(benzyloxy)-9H-purin-2-amine | | Formula: | C12 H11 N5 O | | SMILES: | Nc1nc2[nH]cnc2c(OCc3ccccc3)n1 | | InChi: | InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) | | Synonyms: | o6-benzylguanine | | Definition date: | 2010-01-06 | | Last modified: | 2021-03-01 | | Identifier: | 6-phenylmethoxy-9H-purin-2-amine |
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 | | OBP | | Name: | 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID | | Formula: | C12 H10 O3 S | | SMILES: | O=S(O)c2c(c1ccccc1O)cccc2 | | InChi: | InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15) | | Synonyms: | 2'-HYDROXYBIPHENYL-2-SULFINIC ACID | | Definition date: | 2004-10-15 | | Last modified: | 2021-03-01 | | Identifier: | 2'-hydroxybiphenyl-2-sulfinic acid |
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 | | AET | | Name: | N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)METHYLCARBAMOYL]THREONINE-5'-MONOPHOSPHATE | | Formula: | C16 H23 N6 O11 P | | SMILES: | O=C(O)C(NC(=O)N(c3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C)C(O)C | | InChi: | InChI=1S/C16H23N6O11P/c1-6(23)8(15(26)27)20-16(28)21(2)12-9-13(18-4-17-12)22(5-19-9)14-11(25)10(24)7(33-14)3-32-34(29,30)31/h4-8,10-11,14,23-25H,3H2,1-2H3,(H,20,28)(H,26,27)(H2,29,30,31)/t6-,7-,8+,10-,11-,14-/m1/s1 | | Synonyms: | N-(NEBULARIN-6-YL-METHYLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)(methyl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name) |
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 | | OCH | | Name: | QUINOLIN-2(1H)-ONE | | Formula: | C9 H7 N O | | SMILES: | O=C2C=Cc1c(cccc1)N2 | | InChi: | InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11) | | Synonyms: | 2-OXOQUINOLINE | | Definition date: | 2005-03-17 | | Last modified: | 2021-03-01 | | Identifier: | quinolin-2(1H)-one |
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 | | AF0 | | Name: | N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide | | Formula: | C20 H20 F4 N2 O3 S | | SMILES: | c1(c(c(c(c(c1F)F)C)F)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H20F4N2O3S/c1-3-8-26-15-6-5-13(9-12(15)4-7-16(26)27)25-30(28,29)10-14-19(23)17(21)11(2)18(22)20(14)24/h5-6,9,25H,3-4,7-8,10H2,1-2H3 | | Synonyms: | AMF4 | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide |
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 | | AF9 | | Name: | 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide | | Formula: | C14 H19 N5 O4 S | | SMILES: | COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O | | InChi: | InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19) | | Synonyms: | AF-219 | | Definition date: | 2017-12-05 | | Last modified: | 2021-03-01 | | Release date: | 2018-04-04 | | Identifier: | 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide |
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 | | OE5 | | Name: | 5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | | Formula: | C32 H33 N7 O2 | | SMILES: | Cc1ccc(cc1)n2nc(cc2NC(=O)c3ccc(CNC(=O)c4cnn(c4N)c5ccccc5)cc3)C(C)(C)C | | InChi: | InChI=1S/C32H33N7O2/c1-21-10-16-25(17-11-21)38-28(18-27(37-38)32(2,3)4)36-30(40)23-14-12-22(13-15-23)19-34-31(41)26-20-35-39(29(26)33)24-8-6-5-7-9-24/h5-18,20H,19,33H2,1-4H3,(H,34,41)(H,36,40) | | Synonyms: | MCP-81 | | Definition date: | 2020-02-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-11 | | Identifier: | 5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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 | | OE8 | | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | | Formula: | C34 H37 F N6 O3 | | SMILES: | Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5 | | InChi: | InChI=1S/C34H37FN6O3/c35-26-16-18-27(19-17-26)39-34(44)30(20-13-23-7-3-1-4-8-23)40-32(42)25-14-11-24(12-15-25)21-37-33(43)29-22-38-41(31(29)36)28-9-5-2-6-10-28/h2,5-6,9-12,14-19,22-23,30H,1,3-4,7-8,13,20-21,36H2,(H,37,43)(H,39,44)(H,40,42)/t30-/m0/s1 | | Synonyms: | SR348 | | Definition date: | 2020-02-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-11 | | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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 | | OEB | | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | | Formula: | C34 H39 N7 O3 | | SMILES: | Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)NCc4ccncc4)c5ccccc5 | | InChi: | InChI=1S/C34H39N7O3/c35-31-29(23-39-41(31)28-9-5-2-6-10-28)33(43)37-21-25-11-14-27(15-12-25)32(42)40-30(16-13-24-7-3-1-4-8-24)34(44)38-22-26-17-19-36-20-18-26/h2,5-6,9-12,14-15,17-20,23-24,30H,1,3-4,7-8,13,16,21-22,35H2,(H,37,43)(H,38,44)(H,40,42)/t30-/m0/s1 | | Synonyms: | SR92 | | Definition date: | 2020-02-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-11 | | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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 | | AI7 | | Name: | 3-(heptyloxy)benzoic acid | | Formula: | C14 H20 O3 | | SMILES: | O=C(O)c1cc(OCCCCCCC)ccc1 | | InChi: | InChI=1S/C14H20O3/c1-2-3-4-5-6-10-17-13-9-7-8-12(11-13)14(15)16/h7-9,11H,2-6,10H2,1H3,(H,15,16) | | Synonyms: | 3-heptyloxybenzoate | | Definition date: | 2006-12-07 | | Last modified: | 2021-03-01 | | Identifier: | 3-(heptyloxy)benzoic acid |
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 | | AIT | | Name: | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL | | Formula: | C27 H29 N O4 S | | SMILES: | O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCC(N3CCCC3)C)cc4)cc(O)cc5 | | InChi: | InChI=1S/C27H29NO4S/c1-18(28-14-2-3-15-28)17-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-16-22(30)10-13-24(25)32-26/h4-13,16,18,26-27,29-30H,2-3,14-15,17H2,1H3/t18-,26+,27-/m1/s1 | | Synonyms: | COMPOUND 19 | | Definition date: | 2004-10-12 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3R)-3-(4-hydroxyphenyl)-2-(4-{[(2R)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol |
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 | | AIU | | Name: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL | | Formula: | C28 H31 N O4 S | | SMILES: | O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCCN3CC(C)C(C)C3)cc4)cc(O)cc5 | | InChi: | InChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27+,28-/m1/s1 | | Synonyms: | COMPOUND 16 | | Definition date: | 2004-10-13 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol |
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 | | AJU | | Name: | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid | | Formula: | C17 H24 O8 | | SMILES: | O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 | | InChi: | InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19) | | Synonyms: | 4'-Carboxybenzo-18-crown 6-Ether | | Definition date: | 2018-11-07 | | Last modified: | 2021-03-01 | | Release date: | 2019-03-13 | | Identifier: | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid |
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 | | OIN | | Name: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | | Formula: | C17 H23 N O3 | | SMILES: | O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO | | InChi: | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1 | | Synonyms: | ATROPINE | | Definition date: | 2004-06-01 | | Last modified: | 2021-03-01 | | Identifier: | (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
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 | | OJ2 | | Name: | 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea | | Formula: | C16 H15 F3 N2 O3 | | SMILES: | OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2 | | InChi: | InChI=1S/C16H15F3N2O3/c17-16(18,19)24-13-6-3-5-12(10-13)20-15(23)21-14-7-2-1-4-11(14)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23) | | Synonyms: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea | | Definition date: | 2020-03-13 | | Last modified: | 2021-03-01 | | Release date: | 2020-10-14 | | Identifier: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea |
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 | | OL7 | | Name: | methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate | | Formula: | C42 H57 N7 O10 S | | SMILES: | C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(OC)=O)C7CCCCC7)=O)=O)=O | | InChi: | InChI=1S/C42H57N7O10S/c1-25-37(45-32-21-28(57-3)17-18-30(32)43-25)59-29-22-33-35(50)47-42(39(53)48-60(55,56)41(2)19-20-41)23-27(42)15-11-6-5-7-12-16-31(38(52)49(33)24-29)44-36(51)34(46-40(54)58-4)26-13-9-8-10-14-26/h11,15,17-18,21,26-27,29,31,33-34H,5-10,12-14,16,19-20,22-24H2,1-4H3,(H,44,51)(H,46,54)(H,47,50)(H,48,53)/b15-11-/t27-,29-,31+,33+,34+,42-/m1/s1 | | Synonyms: | P4-P5-6 (NR03-68) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate |
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 | | OLJ | | Name: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C39 H50 N6 O9 S | | SMILES: | C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC8(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CC7C(C6)C7)C8)=O | | InChi: | InChI=1S/C39H50N6O9S/c1-22-34(41-31-18-26(52-3)11-12-29(31)40-22)53-28-19-32-33(46)43-39(36(48)44-55(50,51)38(2)13-14-38)20-25(39)9-7-5-4-6-8-10-30(35(47)45(32)21-28)42-37(49)54-27-16-23-15-24(23)17-27/h7,9,11-12,18,23-25,27-28,30,32H,4-6,8,10,13-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t23-,24+,25-,27+,28-,30+,32+,39-/m1/s1 | | Synonyms: | P4-7 (NR03-77) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | OLW | | Name: | 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile | | Formula: | C17 H16 N6 | | SMILES: | N#Cc1cccc(c1)CNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C17H16N6/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23/h1-3,5,7-10,13,19H,4,6,12H2 | | Synonyms: | 2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(3-cyanobenzyl)ethan-1-amine | | Definition date: | 2014-10-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-24 | | Identifier: | 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile |
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