 | | NJA | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate | | Formula: | C29 H40 N2 O8 S | | SMILES: | C(C(C(Cc1ccccc1)NC(OC3C2CCOC2OC3)=O)O)N(CC(C)C)S(c4ccc(cc4)C(C)O)(=O)=O | | InChi: | InChI=1S/C29H40N2O8S/c1-19(2)16-31(40(35,36)23-11-9-22(10-12-23)20(3)32)17-26(33)25(15-21-7-5-4-6-8-21)30-29(34)39-27-18-38-28-24(27)13-14-37-28/h4-12,19-20,24-28,32-33H,13-18H2,1-3H3,(H,30,34)/t20-,24-,25-,26+,27-,28+/m0/s1 | | Definition date: | 2019-05-14 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
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 | | NJG | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | | Formula: | C30 H42 N2 O9 S | | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(CO)O)(=O)=O)O | | InChi: | InChI=1S/C30H42N2O9S/c1-3-20(2)16-32(42(37,38)23-11-9-22(10-12-23)27(35)18-33)17-26(34)25(15-21-7-5-4-6-8-21)31-30(36)41-28-19-40-29-24(28)13-14-39-29/h4-12,20,24-29,33-35H,3,13-19H2,1-2H3,(H,31,36)/t20-,24-,25-,26+,27-,28-,29+/m0/s1 | | Definition date: | 2019-05-14 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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 | | NJJ | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate | | Formula: | C31 H44 N2 O9 S | | SMILES: | C(C)C(CN(CC(C(Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C(CO)O)(=O)=O)CC | | InChi: | InChI=1S/C31H44N2O9S/c1-3-21(4-2)17-33(43(38,39)24-12-10-23(11-13-24)28(36)19-34)18-27(35)26(16-22-8-6-5-7-9-22)32-31(37)42-29-20-41-30-25(29)14-15-40-30/h5-13,21,25-30,34-36H,3-4,14-20H2,1-2H3,(H,32,37)/t25-,26-,27+,28+,29-,30+/m0/s1 | | Definition date: | 2019-05-14 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
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 | | NJM | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate | | Formula: | C28 H38 N2 O8 S | | SMILES: | C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)C)S(c4ccc(cc4)CO)(=O)=O)O | | InChi: | InChI=1S/C28H38N2O8S/c1-19(2)15-30(39(34,35)22-10-8-21(17-31)9-11-22)16-25(32)24(14-20-6-4-3-5-7-20)29-28(33)38-26-18-37-27-23(26)12-13-36-27/h3-11,19,23-27,31-32H,12-18H2,1-2H3,(H,29,33)/t23-,24-,25+,26-,27+/m0/s1 | | Definition date: | 2019-05-14 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
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 | | 5XR | | Name: | 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid | | Formula: | C7 H11 N O7 | | SMILES: | O=C(O)CC(NC(O)CC=O)(C(O)=O)O | | InChi: | InChI=1S/C7H11NO7/c9-2-1-4(10)8-7(15,6(13)14)3-5(11)12/h2,4,8,10,15H,1,3H2,(H,11,12)(H,13,14)/t4-,7+/m0/s1 | | Definition date: | 2015-12-23 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid |
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 | | 5XW | | Name: | (2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid | | Formula: | C7 H9 N O6 | | SMILES: | O[CH](CC=O)N=C(CC(O)=O)C(O)=O | | InChi: | InChI=1S/C7H9NO6/c9-2-1-5(10)8-4(7(13)14)3-6(11)12/h2,5,10H,1,3H2,(H,11,12)(H,13,14)/b8-4-/t5-/m1/s1 | | Definition date: | 2015-12-28 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (2~{Z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid |
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 | | O0J | | Name: | N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide | | Formula: | C11 H11 N3 O S | | SMILES: | Nc2nc(c1ccc(cc1)NC(C)=O)cs2 | | InChi: | InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide |
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 | | O0M | | Name: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol | | Formula: | C15 H23 N O | | SMILES: | c1c(C(C)C)ccc(c1)CN2CCC(O)CC2 | | InChi: | InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3 | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol |
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 | | O0P | | Name: | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide | | Formula: | C8 H11 F N2 O2 S | | SMILES: | NS(N(C)Cc1cc(ccc1)F)(=O)=O | | InChi: | InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide |
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 | | O0S | | Name: | N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide | | Formula: | C12 H11 N3 O2 | | SMILES: | n1cccnc1Oc2ccc(NC(C)=O)cc2 | | InChi: | InChI=1S/C12H11N3O2/c1-9(16)15-10-3-5-11(6-4-10)17-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,16) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide |
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 | | O1A | | Name: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide | | Formula: | C13 H19 N3 O | | SMILES: | N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O | | InChi: | InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide |
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 | | O1M | | Name: | 4-(4-fluorophenyl)piperazine-1-carboxamide | | Formula: | C11 H14 F N3 O | | SMILES: | N2(C(N)=O)CCN(c1ccc(cc1)F)CC2 | | InChi: | InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16) | | Definition date: | 2019-06-04 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-(4-fluorophenyl)piperazine-1-carboxamide |
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 | | O2D | | Name: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide | | Formula: | C10 H16 N4 O | | SMILES: | N(C(CC1CCCCC1)=O)n2cnnc2 | | InChi: | InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15) | | Definition date: | 2019-06-05 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide |
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 | | O2J | | Name: | (2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine | | Formula: | C11 H16 N2 O2 | | SMILES: | N2(c1ccccn1)CCOC(C2)COC | | InChi: | InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m1/s1 | | Definition date: | 2019-06-05 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine |
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 | | O2M | | Name: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide | | Formula: | C9 H10 N4 O S | | SMILES: | N(Cc1nc(C)cs1)C(=O)c2nncc2 | | InChi: | InChI=1S/C9H10N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13) | | Definition date: | 2019-06-05 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide |
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 | | O2P | | Name: | N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide | | Formula: | C15 H15 N O2 | | SMILES: | N(c1ccc(cc1O)C)C(=O)c2ccccc2C | | InChi: | InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18) | | Definition date: | 2019-06-05 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide |
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 | | J7S | | Name: | 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C16 H12 Cl N5 O2 | | SMILES: | O=C1CN(c2c(N1)cc(OC)cc2)c4c3c(nccc3)nc(n4)Cl | | InChi: | InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-10-3-2-6-18-14(10)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23) | | Definition date: | 2018-08-20 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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 | | O3A | | Name: | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide | | Formula: | C12 H16 N2 O | | SMILES: | N(C(C1CCNC1)=O)(c2ccccc2)C | | InChi: | InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide |
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 | | O3D | | Name: | 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione | | Formula: | C9 H13 N O3 S | | SMILES: | N1(CCS(CC1)(=O)=O)Cc2ccco2 | | InChi: | InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione |
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 | | O3G | | Name: | N-benzyl-1-(4-fluorophenyl)methanamine | | Formula: | C14 H14 F N | | SMILES: | N(Cc1ccc(F)cc1)Cc2ccccc2 | | InChi: | InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | N-benzyl-1-(4-fluorophenyl)methanamine |
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 | | O3J | | Name: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one | | Formula: | C15 H22 N2 O | | SMILES: | N2(CCCc1ccccc1)CCN(C(C)=O)CC2 | | InChi: | InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one |
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 | | O3M | | Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol | | Formula: | C16 H17 N O | | SMILES: | C(N1CCc2c(C1)cccc2)c3ccc(cc3)O | | InChi: | InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2 | | Definition date: | 2019-06-06 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol |
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 | | OJ4 | | Name: | 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide | | Formula: | C18 H24 N2 O8 S2 Te | | SMILES: | c1cc(ccc1OCC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(N)(=O)=O | | InChi: | InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26)/t13-,14+ | | Definition date: | 2019-06-25 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide |
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 | | B5O | | Name: | (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one | | Formula: | C22 H20 F3 N3 O2 | | SMILES: | CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cc(CO)ccc4F)c2C1 | | InChi: | InChI=1S/C22H20F3N3O2/c1-11(2)13-6-19-22(20(30)7-13)26-27-28(19)14-8-17(24)21(18(25)9-14)15-5-12(10-29)3-4-16(15)23/h3-5,8-9,11,13,29H,6-7,10H2,1-2H3/t13-/m1/s1 | | Definition date: | 2019-01-17 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (6~{R})-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one |
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 | | B5X | | Name: | (6R)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one | | Formula: | C23 H24 F2 N4 O | | SMILES: | CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cccc(c4)N(C)C)c2C1 | | InChi: | InChI=1S/C23H24F2N4O/c1-13(2)15-9-20-23(21(30)10-15)26-27-29(20)17-11-18(24)22(19(25)12-17)14-6-5-7-16(8-14)28(3)4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m1/s1 | | Definition date: | 2019-01-17 | | Last modified: | 2019-08-16 | | Release date: | 2019-08-21 | | Identifier: | (6~{R})-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one |
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