 | | RRD | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H21 Cl N4 O4 | | SMILES: | O=C(CN1CC(C(=O)Nc2cncc3ccccc32)c2cc(Cl)ccc2C1=O)NC1COC1 | | InChi: | InChI=1S/C24H21ClN4O4/c25-15-5-6-18-19(7-15)20(10-29(24(18)32)11-22(30)27-16-12-33-13-16)23(31)28-21-9-26-8-14-3-1-2-4-17(14)21/h1-9,16,20H,10-13H2,(H,27,30)(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RRU | | Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C26 H23 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1 | | InChi: | InChI=1S/C26H23ClN4O3S/c27-20-6-5-19-14-30(35(33,34)17-25(15-28)7-8-25)16-26(22(19)11-20)9-10-31(24(26)32)23-13-29-12-18-3-1-2-4-21(18)23/h1-6,11-13H,7-10,14,16-17H2/t26-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | 0Y8 | | Name: | (4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline | | Formula: | C14 H13 Br N2 O3 | | SMILES: | O=C(O)C3NCC(Oc1nccc2c1cc(Br)cc2)C3 | | InChi: | InChI=1S/C14H13BrN2O3/c15-9-2-1-8-3-4-16-13(11(8)5-9)20-10-6-12(14(18)19)17-7-10/h1-5,10,12,17H,6-7H2,(H,18,19)/t10-,12+/m1/s1 | | Definition date: | 2012-09-12 | | Last modified: | 2023-11-03 | | Release date: | 2012-12-07 | | Identifier: | (4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline |
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 | | 0YG | | Name: | N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine | | Formula: | C11 H12 N2 O4 | | SMILES: | NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O | | InChi: | InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5- | | Definition date: | 2010-02-16 | | Last modified: | 2023-11-03 | | Identifier: | 2-[[(Z)-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethanoic acid |
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 | | RS6 | | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H22 Cl F N4 O3 | | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RSL | | Name: | 4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate | | Formula: | C18 H15 Cl N2 O4 S | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OS(C)(=O)=O | | InChi: | InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-5-6-16-13(9-15)10-20-11-17(16)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate |
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 | | RT4 | | Name: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H21 Cl N4 O3 | | SMILES: | Clc1ccc2C(=O)N(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1 | | InChi: | InChI=1S/C24H21ClN4O3/c25-15-5-8-18-19(9-15)20(12-29(24(18)32)13-22(30)27-16-6-7-16)23(31)28-21-11-26-10-14-3-1-2-4-17(14)21/h1-5,8-11,16,20H,6-7,12-13H2,(H,27,30)(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RT9 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H22 Cl N3 O5 S | | SMILES: | COC1(CC1)CS(=O)(=O)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C24H22ClN3O5S/c1-33-24(8-9-24)14-34(31,32)28-13-20(19-10-16(25)6-7-18(19)23(28)30)22(29)27-21-12-26-11-15-4-2-3-5-17(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,27,29)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RTS | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | | Formula: | C22 H21 Cl N4 O4 S | | SMILES: | CNC(=O)CN1CC(C)(c2cc(Cl)ccc2S1(=O)=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H21ClN4O4S/c1-22(21(29)26-18-11-25-10-14-5-3-4-6-16(14)18)13-27(12-20(28)24-2)32(30,31)19-8-7-15(23)9-17(19)22/h3-11H,12-13H2,1-2H3,(H,24,28)(H,26,29)/t22-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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 | | RTY | | Name: | 4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid | | Formula: | C14 H20 Br N O4 | | SMILES: | BrCC(O)C(N)Cc1ccc(OCCCC(=O)O)cc1 | | InChi: | InChI=1S/C14H20BrNO4/c15-9-13(17)12(16)8-10-3-5-11(6-4-10)20-7-1-2-14(18)19/h3-6,12-13,17H,1-2,7-9,16H2,(H,18,19)/t12-,13-/m0/s1 | | Definition date: | 2009-07-01 | | Last modified: | 2023-11-03 | | Identifier: | 4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid |
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 | | RV0 | | Name: | (4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | | Formula: | C20 H18 Cl N3 O3 S | | SMILES: | Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18ClN3O3S/c1-2-20(12-23-28(26,27)18-8-7-14(21)9-16(18)20)19(25)24-17-11-22-10-13-5-3-4-6-15(13)17/h3-11,23H,2,12H2,1H3,(H,24,25)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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 | | LRN | | Name: | 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one | | Formula: | C20 H36 N2 O2 | | SMILES: | O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1 | | InChi: | InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one |
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 | | LS0 | | Name: | 2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C16 H14 F N3 O | | SMILES: | Cc1ccncc1NC(=O)Cn1ccc2ccc(F)cc21 | | InChi: | InChI=1S/C16H14FN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | LSF | | Name: | N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide | | Formula: | C17 H17 N3 O3 | | SMILES: | Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1 | | InChi: | InChI=1S/C17H17N3O3/c1-11-5-6-18-10-14(11)19-15(21)8-12-3-2-4-13(7-12)23-17-9-16(22)20-17/h2-7,10,17H,8-9H2,1H3,(H,19,21)(H,20,22)/t17-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide |
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 | | 13E | | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-methionine | | Formula: | C14 H22 N2 O2 S | | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)CCSC | | InChi: | InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13-/m0/s1 | | Definition date: | 2012-10-02 | | Last modified: | 2023-11-03 | | Release date: | 2012-12-07 | | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-methionine |
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 | | LT9 | | Name: | 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide | | Formula: | C17 H15 Cl N2 O2 | | SMILES: | O=C(Nc1cnccc1C)C1(CC(=O)C1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C17H15ClN2O2/c1-11-5-6-19-10-15(11)20-16(22)17(8-14(21)9-17)12-3-2-4-13(18)7-12/h2-7,10H,8-9H2,1H3,(H,20,22) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide |
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 | | LTU | | Name: | 2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid | | Formula: | C16 H20 N2 O4 | | SMILES: | CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23 | | InChi: | InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13+,14-/m1/s1 | | Synonyms: | (2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid | | Definition date: | 2022-07-12 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-29 | | Identifier: | (2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid |
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 | | LUC | | Name: | 2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C17 H16 Cl N3 O3 | | SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1 | | InChi: | InChI=1S/C17H16ClN3O3/c1-10-2-3-19-9-14(10)20-15(22)6-11-4-12(18)7-13(5-11)24-17-8-16(23)21-17/h2-5,7,9,17H,6,8H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | LV8 | | Name: | (2~{S})-3-acetamido-2-azanyl-propanoic acid | | Formula: | C5 H10 N2 O3 | | SMILES: | CC(=O)NC[CH](N)C(O)=O | | InChi: | InChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 | | Definition date: | 2019-09-13 | | Last modified: | 2023-11-03 | | Release date: | 2019-10-30 | | Identifier: | (2~{S})-3-acetamido-2-azanyl-propanoic acid |
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 | | LV9 | | Name: | N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea | | Formula: | C18 H21 N3 O2 | | SMILES: | O=C(NC1(CCOCC1)Cc1ccccc1)Nc1cccnc1 | | InChi: | InChI=1S/C18H21N3O2/c22-17(20-16-7-4-10-19-14-16)21-18(8-11-23-12-9-18)13-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H2,20,21,22) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea |
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 | | LVM | | Name: | N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide | | Formula: | C14 H18 N2 O | | SMILES: | O=C(Nc1cnccc1C)CC1CC2(CC2)C1 | | InChi: | InChI=1S/C14H18N2O/c1-10-2-5-15-9-12(10)16-13(17)6-11-7-14(8-11)3-4-14/h2,5,9,11H,3-4,6-8H2,1H3,(H,16,17) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide |
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 | | LW6 | | Name: | 1H-indole-4-carbaldehyde | | Formula: | C9 H7 N O | | SMILES: | O=Cc1cccc2[NH]ccc12 | | InChi: | InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1H-indole-4-carbaldehyde |
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 | | LWI | | Name: | 2-(aminomethyl)-L-phenylalanine | | Formula: | C10 H14 N2 O2 | | SMILES: | NC(Cc1ccccc1CN)C(O)=O | | InChi: | InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2020-06-09 | | Last modified: | 2023-11-03 | | Release date: | 2021-03-31 | | Identifier: | 2-(aminomethyl)-L-phenylalanine |
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 | | LWO | | Name: | 2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | | Formula: | C20 H19 N5 O S | | SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC)cc1 | | InChi: | InChI=1S/C20H19N5OS/c1-21-16-6-8-17(9-7-16)24(12-15-10-11-27-14-15)20(26)13-25-19-5-3-2-4-18(19)22-23-25/h2-11,14,21H,12-13H2,1H3 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide |
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 | | LXF | | Name: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide | | Formula: | C17 H17 N3 O3 S2 | | SMILES: | O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O | | InChi: | InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide |
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