 | | OUK | | Name: | [(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium | | Formula: | C7 H18 N3 O2 | | SMILES: | N[CH](CCCC[NH3+])CNC(O)=O | | InChi: | InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2017-04-12 | | Identifier: | [(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium |
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 | | N5L | | Name: | N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide | | Formula: | C14 H14 Cl N3 O | | SMILES: | O=C(Nc1cncc(N)c1C)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C14H14ClN3O/c1-9-12(16)7-17-8-13(9)18-14(19)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6,16H2,1H3,(H,18,19) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide |
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 | | QV9 | | Name: | (3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one | | Formula: | C19 H15 Cl N2 O | | SMILES: | Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O | | InChi: | InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one |
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 | | KPN | | Name: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine | | Formula: | C16 H18 N4 O3 | | SMILES: | O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN | | InChi: | InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23) | | Definition date: | 2010-04-20 | | Last modified: | 2023-11-03 | | Identifier: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine |
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 | | OUR | | Name: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium | | Formula: | C7 H18 N5 O2 | | SMILES: | N[CH](CCCNC(N)=[NH2+])CNC(O)=O | | InChi: | InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2017-04-12 | | Identifier: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium |
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 | | QVE | | Name: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid | | Formula: | C12 H10 N2 O5 | | SMILES: | Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2023-11-03 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
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 | | QVG | | Name: | (4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C19 H13 Cl F2 N2 O2 | | SMILES: | Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21 | | InChi: | InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | QVJ | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C23 H22 Cl N3 O4 | | SMILES: | CNC(=O)COCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H22ClN3O4/c1-25-21(28)13-30-14-23(8-9-31-20-7-6-16(24)10-18(20)23)22(29)27-19-12-26-11-15-4-2-3-5-17(15)19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,28)(H,27,29)/t23-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | QGO | | Name: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C23 H22 Cl N3 O3 | | SMILES: | CN(C)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H22ClN3O3/c1-27(2)21(28)12-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)26-19-14-25-13-15-5-3-4-6-17(15)19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,29)/t23-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | RAQ | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C25 H26 Cl N3 O4 S | | SMILES: | O=S(=O)(CC1CCOCC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C25H26ClN3O4S/c26-20-6-5-19-14-29(34(31,32)16-17-7-9-33-10-8-17)15-23(22(19)11-20)25(30)28-24-13-27-12-18-3-1-2-4-21(18)24/h1-6,11-13,17,23H,7-10,14-16H2,(H,28,30)/t23-/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-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | 85G | | Name: | N-ethyl-L-glutamine | | Formula: | C7 H14 N2 O3 | | SMILES: | NC(C(O)=O)CCC(NCC)=O | | InChi: | InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 | | Definition date: | 2017-01-05 | | Last modified: | 2023-11-03 | | Release date: | 2017-05-24 | | Identifier: | N-ethyl-L-glutamine |
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 | | 0MG | | Name: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium | | Formula: | C7 H15 N4 O3 | | SMILES: | O=C(C(=O)O)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1 | | Definition date: | 2010-09-24 | | Last modified: | 2023-11-03 | | Identifier: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium |
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 | | 85J | | Name: | N-propyl-L-glutamine | | Formula: | C8 H16 N2 O3 | | SMILES: | NC(CCC(NCCC)=O)C(O)=O | | InChi: | InChI=1S/C8H16N2O3/c1-2-5-10-7(11)4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1 | | Definition date: | 2017-01-05 | | Last modified: | 2023-11-03 | | Release date: | 2017-05-24 | | Identifier: | N-propyl-L-glutamine |
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 | | KPY | | Name: | (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID | | Formula: | C8 H14 N2 O4 S | | SMILES: | O=C(O)C(N)CSCC/N=C(/C(=O)O)C | | InChi: | InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1 | | Synonyms: | PYRUVOYL-L-THIALYSINE | | Definition date: | 2012-02-03 | | Last modified: | 2023-11-03 | | Release date: | 2013-01-18 | | Identifier: | S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine |
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 | | OV4 | | Name: | 2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide | | Formula: | C23 H23 N5 O | | SMILES: | CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 | | InChi: | InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide |
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 | | KQ3 | | Name: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea | | Formula: | C18 H21 Cl N4 O2 | | SMILES: | Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1 | | InChi: | InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea |
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 | | QGX | | Name: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H13 Cl2 N3 O | | SMILES: | Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | N65 | | Name: | (2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal | | Formula: | C11 H22 N2 O2 | | SMILES: | CCCC(C)=NCCCC[CH](N)C(O)=O | | InChi: | InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1 | | Definition date: | 2019-11-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-06-03 | | Identifier: | (2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanoic acid |
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 | | OV7 | | Name: | (2R)-amino[(carboxymethyl)sulfanyl]acetic acid | | Formula: | C4 H7 N O4 S | | SMILES: | NC(C(O)=O)SCC(O)=O | | InChi: | InChI=1S/C4H7NO4S/c5-3(4(8)9)10-1-2(6)7/h3H,1,5H2,(H,6,7)(H,8,9)/t3-/m1/s1 | | Definition date: | 2019-07-08 | | Last modified: | 2023-11-03 | | Release date: | 2019-08-07 | | Identifier: | (2R)-amino[(carboxymethyl)sulfanyl]acetic acid |
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 | | QVU | | Name: | (4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C18 H14 Cl2 N4 O | | SMILES: | Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21 | | InChi: | InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | KQ9 | | Name: | 1-[(dimethylamino)methyl]cyclobutan-1-amine | | Formula: | C7 H16 N2 | | SMILES: | CN(C)CC1(N)CCC1 | | InChi: | InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3 | | Definition date: | 2022-06-01 | | Last modified: | 2023-11-03 | | Release date: | 2022-12-07 | | Identifier: | 1-[(dimethylamino)methyl]cyclobutan-1-amine |
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 | | OV9 | | Name: | 2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid | | Formula: | C7 H5 N5 O3 | | SMILES: | NC1=Nc2nc(cnc2C(=O)N1)C(O)=O | | InChi: | InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13) | | Definition date: | 2023-02-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-09-20 | | Identifier: | 2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid |
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 | | QW1 | | Name: | (4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide | | Formula: | C20 H17 Cl N4 O2 | | SMILES: | NC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN4O2/c21-14-6-5-13-10-25(20(22)27)11-17(16(13)7-14)19(26)24-18-9-23-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H2,22,27)(H,24,26)/t17-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide |
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 | | QH6 | | Name: | 2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H12 Cl F N2 O | | SMILES: | Fc1ccc(cc1Cl)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H12ClFN2O/c18-14-7-11(5-6-15(14)19)8-17(22)21-16-10-20-9-12-3-1-2-4-13(12)16/h1-7,9-10H,8H2,(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | ROZ | | Name: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide | | Formula: | C18 H14 Cl N3 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=O | | InChi: | InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide |
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