 | | ULT | | Name: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid | | Formula: | C22 H14 Cl F3 N2 O4 | | SMILES: | OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)cc1 | | InChi: | InChI=1S/C22H14ClF3N2O4/c23-17-3-1-2-16(22(24,25)26)18(17)19-15(20(32-28-19)13-8-9-27-10-13)11-31-14-6-4-12(5-7-14)21(29)30/h1-10,27H,11H2,(H,29,30) | | Synonyms: | FM156 | | Definition date: | 2021-03-01 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid |
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 | | XQ7 | | Name: | (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol | | Formula: | C16 H23 F2 N O2 | | SMILES: | FC1(CCC(CC1)COc2cccc(c2)C(O)CCN)F | | InChi: | InChI=1S/C16H23F2NO2/c17-16(18)7-4-12(5-8-16)11-21-14-3-1-2-13(10-14)15(20)6-9-19/h1-3,10,12,15,20H,4-9,11,19H2/t15-/m1/s1 | | Synonyms: | gem-difluoro-(R)-emixustat | | Definition date: | 2020-12-30 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol |
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 | | U95 | | Name: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid | | Formula: | C22 H14 Cl F3 N2 O4 | | SMILES: | OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4[nH]ccc4)cc1 | | InChi: | InChI=1S/C22H14ClF3N2O4/c23-16-4-1-3-15(22(24,25)26)18(16)19-14(20(32-28-19)17-5-2-10-27-17)11-31-13-8-6-12(7-9-13)21(29)30/h1-10,27H,11H2,(H,29,30) | | Definition date: | 2021-02-03 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid |
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 | | PZC | | Name: | (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide | | Formula: | C27 H50 N6 O11 | | SMILES: | CNC1C(COC(C1O)OC3C(O)C(OC2C(CC=C(CNCCO)O2)NC(C)=O)C(N)CC3NC(=O)C(CCN)O)(C)O | | InChi: | InChI=1S/C27H50N6O11/c1-13(35)32-16-5-4-14(11-31-8-9-34)42-25(16)43-21-15(29)10-17(33-24(39)18(36)6-7-28)22(19(21)37)44-26-20(38)23(30-3)27(2,40)12-41-26/h4,15-23,25-26,30-31,34,36-38,40H,5-12,28-29H2,1-3H3,(H,32,35)(H,33,39)/t15-,16+,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m0/s1 | | Synonyms: | acetylated-plazomicin | | Definition date: | 2020-02-03 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide |
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 | | Q5W | | Name: | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate | | Formula: | C17 H14 O2 | | SMILES: | COC(=O)C(C)=Cc1ccc2cc(ccc2c1)C#C | | InChi: | InChI=1S/C17H14O2/c1-4-13-5-7-16-11-14(6-8-15(16)10-13)9-12(2)17(18)19-3/h1,5-11H,2-3H3/b12-9- | | Definition date: | 2020-05-19 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate |
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 | | H8S | | Name: | N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Formula: | C28 H42 N4 O3 S | | SMILES: | C(c1ccc3c(c1)sc(CC(NC(=O)CC)C(NC(C2CCCCC2)CNC(=O)C(C)C)=O)n3)(C)C | | InChi: | InChI=1S/C28H42N4O3S/c1-6-25(33)30-22(15-26-31-21-13-12-20(17(2)3)14-24(21)36-26)28(35)32-23(16-29-27(34)18(4)5)19-10-8-7-9-11-19/h12-14,17-19,22-23H,6-11,15-16H2,1-5H3,(H,29,34)(H,30,33)(H,32,35)/t22-,23+/m0/s1 | | Definition date: | 2018-06-15 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide |
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 | | H8V | | Name: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide | | Formula: | C33 H51 N5 O4 S | | SMILES: | CC(c3ccc4nc(CC(NC(=O)CC)C(NC(C1CCCCC1)CNC(=O)C(CCN2CCOCC2)C)=O)sc4c3)C | | InChi: | InChI=1S/C33H51N5O4S/c1-5-30(39)35-27(20-31-36-26-12-11-25(22(2)3)19-29(26)43-31)33(41)37-28(24-9-7-6-8-10-24)21-34-32(40)23(4)13-14-38-15-17-42-18-16-38/h11-12,19,22-24,27-28H,5-10,13-18,20-21H2,1-4H3,(H,34,40)(H,35,39)(H,37,41)/t23-,27+,28-/m1/s1 | | Definition date: | 2018-06-15 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide |
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 | | H9M | | Name: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide | | Formula: | C31 H49 N5 O3 S | | SMILES: | s1c(nc2c1cc(cc2)C(C)C)CC(C(=O)NC(C3CCCCC3)CNC(=O)C(CCN(C)C)C)NC(=O)CC | | InChi: | InChI=1S/C31H49N5O3S/c1-7-28(37)33-25(18-29-34-24-14-13-23(20(2)3)17-27(24)40-29)31(39)35-26(22-11-9-8-10-12-22)19-32-30(38)21(4)15-16-36(5)6/h13-14,17,20-22,25-26H,7-12,15-16,18-19H2,1-6H3,(H,32,38)(H,33,37)(H,35,39)/t21-,25-,26+/m0/s1 | | Definition date: | 2018-06-18 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide |
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 | | H9P | | Name: | N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Formula: | C31 H44 N6 O3 S | | SMILES: | O=C(C(NC(CC)=O)Cc1nc2c(s1)cc(cc2)C(C)C)NC(C3CCCCC3)CNC(C(C)Cn4cncc4)=O | | InChi: | InChI=1S/C31H44N6O3S/c1-5-28(38)34-25(16-29-35-24-12-11-23(20(2)3)15-27(24)41-29)31(40)36-26(22-9-7-6-8-10-22)17-33-30(39)21(4)18-37-14-13-32-19-37/h11-15,19-22,25-26H,5-10,16-18H2,1-4H3,(H,33,39)(H,34,38)(H,36,40)/t21-,25-,26+/m0/s1 | | Definition date: | 2018-06-18 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide |
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 | | H9S | | Name: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide | | Formula: | C32 H47 N5 O4 S | | SMILES: | C(C)(C)c1ccc2c(c1)sc(n2)CC(C(=O)NC(CNC(=O)[C@H]=CCN3CCOCC3)C4CCCCC4)NC(CC)=O | | InChi: | InChI=1S/C32H47N5O4S/c1-4-29(38)34-26(20-31-35-25-13-12-24(22(2)3)19-28(25)42-31)32(40)36-27(23-9-6-5-7-10-23)21-33-30(39)11-8-14-37-15-17-41-18-16-37/h8,11-13,19,22-23,26-27H,4-7,9-10,14-18,20-21H2,1-3H3,(H,33,39)(H,34,38)(H,36,40)/b11-8+/t26-,27+/m0/s1 | | Definition date: | 2018-06-18 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide |
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 | | IJE | | Name: | {2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid | | Formula: | C17 H24 N3 O5 P | | SMILES: | OP(O)(CCC1CCN(CC1)c3c2cc(c(cc2ncn3)OC)OC)=O | | InChi: | InChI=1S/C17H24N3O5P/c1-24-15-9-13-14(10-16(15)25-2)18-11-19-17(13)20-6-3-12(4-7-20)5-8-26(21,22)23/h9-12H,3-8H2,1-2H3,(H2,21,22,23) | | Definition date: | 2020-06-29 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | {2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid |
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 | | N98 | | Name: | methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate | | Formula: | C21 H15 N3 O4 | | SMILES: | COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OCOc5c4 | | InChi: | InChI=1S/C21H15N3O4/c1-26-21(25)17-10-15(14-7-8-18-19(9-14)28-12-27-18)22-20-11-16(23-24(17)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3 | | Definition date: | 2019-11-18 | | Last modified: | 2021-05-28 | | Release date: | 2021-06-02 | | Identifier: | methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate |
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 | | UY1 | | Name: | 2'-O-methylpseudouridine-5'-monophosphate | | Formula: | C10 H15 N2 O9 P | | SMILES: | C1(C(OC)C(O)C(O1)COP(=O)(O)O)C2C(=O)NC(N=C2)=O | | InChi: | InChI=1S/C10H15N2O9P/c1-19-8-6(13)5(3-20-22(16,17)18)21-7(8)4-2-11-10(15)12-9(4)14/h2,5-8,13H,3H2,1H3,(H2,16,17,18)(H2,11,12,14,15)/t5-,6-,7+,8-/m1/s1 | | Definition date: | 2020-06-04 | | Last modified: | 2021-05-27 | | Release date: | 2020-10-07 | | Identifier: | (1S)-1,4-anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-5-yl]-2-O-methyl-5-O-phosphono-D-ribitol |
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 | | 3PE | | Name: | 1,2-Distearoyl-sn-glycerophosphoethanolamine | | Formula: | C41 H82 N O8 P | | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 | | Synonyms: | 3-SN-PHOSPHATIDYLETHANOLAMINE | | Definition date: | 2003-07-09 | | Last modified: | 2021-05-26 | | Identifier: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate |
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 | | T2Q | | Name: | 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one | | Formula: | C27 H25 F3 N4 O5 S | | SMILES: | C[S](=O)(=O)C1CCN(CC1)c2cccc(CN3C=C(C=CC3=O)c4onc(n4)c5ccc(OC(F)(F)F)cc5)c2 | | InChi: | InChI=1S/C27H25F3N4O5S/c1-40(36,37)23-11-13-33(14-12-23)21-4-2-3-18(15-21)16-34-17-20(7-10-24(34)35)26-31-25(32-39-26)19-5-8-22(9-6-19)38-27(28,29)30/h2-10,15,17,23H,11-14,16H2,1H3 | | Definition date: | 2020-12-14 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one |
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 | | ZG7 | | Name: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C22 H14 Br Cl N4 O2 | | SMILES: | Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N)Oc1cccc(Br)c1 | | InChi: | InChI=1S/C22H14BrClN4O2/c23-14-2-1-3-16(10-14)30-18-12-26-20-17(11-25)19(27-28(20)21(18)29)22(8-9-22)13-4-6-15(24)7-5-13/h1-7,10,12,29H,8-9H2 | | Definition date: | 2021-04-19 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | ZXX | | Name: | methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | Formula: | C22 H32 N4 O6 | | SMILES: | O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(C)=O)C(C)C | | InChi: | InChI=1S/C22H32N4O6/c1-13(2)19(23-14(3)27)20(29)24-18(12-15-7-5-8-16(28)11-15)21(30)26-10-6-9-17(25-26)22(31)32-4/h5,7-8,11,13,17-19,25,28H,6,9-10,12H2,1-4H3,(H,23,27)(H,24,29)/t17-,18-,19-/m0/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2021-05-21 | | Release date: | 2020-06-24 | | Identifier: | methyl (3S)-1-(N-acetyl-L-valyl-3-hydroxy-L-phenylalanyl)-1,2-diazinane-3-carboxylate |
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 | | V5J | | Name: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide | | Formula: | C26 H22 F N5 O2 | | SMILES: | c2(F)c(NC(c1cccc(c1)C(C)(C)C#N)=O)cc(c(C)c2)c3cnc4c(c3)C=NN(C4=O)C | | InChi: | InChI=1S/C26H22FN5O2/c1-15-8-21(27)22(31-24(33)16-6-5-7-19(10-16)26(2,3)14-28)11-20(15)17-9-18-13-30-32(4)25(34)23(18)29-12-17/h5-13H,1-4H3,(H,31,33) | | Definition date: | 2020-06-29 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide |
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 | | RHH | | Name: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C19 H19 N7 O | | SMILES: | Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(N)c4 | | InChi: | InChI=1S/C19H19N7O/c1-12-23-15-6-5-14(13-10-16(20)25-17(21)11-13)24-19(15)26(12)8-9-27-18-4-2-3-7-22-18/h2-7,10-11H,8-9H2,1H3,(H4,20,21,25) | | Definition date: | 2020-09-29 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
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 | | RHT | | Name: | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine | | Formula: | C13 H13 N5 | | SMILES: | Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine |
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 | | RHW | | Name: | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine | | Formula: | C13 H11 N3 O | | SMILES: | Nc1cc(cc(N)n1)c2ccc3occc3c2 | | InChi: | InChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine |
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 | | RHZ | | Name: | 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine | | Formula: | C12 H11 Cl N2 O | | SMILES: | COc1cc(ccc1Cl)c2ccnc(N)c2 | | InChi: | InChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine |
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 | | YEY | | Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole | | Formula: | C12 H11 N O2 | | SMILES: | c1c(ccc2c1OCCO2)c3cccn3 | | InChi: | InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2 | | Definition date: | 2021-02-24 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole |
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 | | UDJ | | Name: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one | | Formula: | C24 H31 N O | | SMILES: | c1ccncc1C=4C3(CCC5C2(CCC(=O)CC2CCC5C3CC=4)C)C | | InChi: | InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1 | | Definition date: | 2020-05-08 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one |
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 | | VMM | | Name: | ETX0462 (Bound form) | | Formula: | C10 H16 N6 O7 S | | SMILES: | c12cnn(C)c1C(C(NC)=NO)N(C(=O)O)CC2NOS(=O)(O)=O | | InChi: | InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1 | | Synonyms: | (4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid | | Definition date: | 2020-08-27 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid |
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