 | | QS3 | | Name: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione | | Formula: | C21 H16 Cl N3 O3 | | SMILES: | Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4ccccc43)c2c1 | | InChi: | InChI=1S/C21H16ClN3O3/c1-24-20(27)25(17-12-23-11-13-4-2-3-5-15(13)17)19(26)21(24)8-9-28-18-7-6-14(22)10-16(18)21/h2-7,10-12H,8-9H2,1H3/t21-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione |
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 | | RL0 | | Name: | 2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide | | Formula: | C19 H18 Cl N3 O3 S | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)S(C)(=O)=O | | InChi: | InChI=1S/C19H18ClN3O3S/c1-23(27(2,25)26)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide |
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 | | R7F | | Name: | (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C22 H22 Cl N3 O2 | | SMILES: | CC(C)(O)c1cc2c(cc1)cncc2NC(=O)C1CCNc2ccc(Cl)cc21 | | InChi: | InChI=1S/C22H22ClN3O2/c1-22(2,28)14-4-3-13-11-24-12-20(17(13)9-14)26-21(27)16-7-8-25-19-6-5-15(23)10-18(16)19/h3-6,9-12,16,25,28H,7-8H2,1-2H3,(H,26,27)/t16-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | QDF | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C19 H14 Cl N3 O2 | | SMILES: | Clc1ccc2NC(=O)CC(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H14ClN3O2/c20-12-5-6-16-14(7-12)15(8-18(24)22-16)19(25)23-17-10-21-9-11-3-1-2-4-13(11)17/h1-7,9-10,15H,8H2,(H,22,24)(H,23,25)/t15-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | ORN | | Name: | L-ornithine | | Formula: | C5 H12 N2 O2 | | SMILES: | O=C(O)C(N)CCCN | | InChi: | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | L-ornithine |
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 | | N2C | | Name: | N,S-DIMETHYLCYSTEINE | | Formula: | C5 H11 N O2 S | | SMILES: | O=C(O)C(NC)CSC | | InChi: | InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1 | | Definition date: | 2004-11-02 | | Last modified: | 2023-11-03 | | Identifier: | N,S-dimethyl-L-cysteine |
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 | | 823 | | Name: | N,N-bis(3-sulfanylpropyl)-L-asparagine | | Formula: | C10 H20 N2 O3 S2 | | SMILES: | O=C(O)C(N)CC(=O)N(CCCS)CCCS | | InChi: | InChI=1S/C10H20N2O3S2/c11-8(10(14)15)7-9(13)12(3-1-5-16)4-2-6-17/h8,16-17H,1-7,11H2,(H,14,15)/t8-/m0/s1 | | Definition date: | 2014-02-19 | | Last modified: | 2023-11-03 | | Release date: | 2014-09-24 | | Identifier: | N,N-bis(3-sulfanylpropyl)-L-asparagine |
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 | | QSC | | Name: | (1R)-1-phenylethanamine | | Formula: | C8 H11 N | | SMILES: | NC(c1ccccc1)C | | InChi: | InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1 | | Definition date: | 2011-12-22 | | Last modified: | 2023-11-03 | | Release date: | 2012-11-16 | | Identifier: | (1R)-1-phenylethanamine |
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 | | QDI | | Name: | 6-fluoroquinolin-4-amine | | Formula: | C9 H7 F N2 | | SMILES: | Fc1ccc2nccc(N)c2c1 | | InChi: | InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12) | | Definition date: | 2022-06-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 6-fluoroquinolin-4-amine |
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 | | ORQ | | Name: | N~5~-ACETYL-L-ORNITHINE | | Formula: | C7 H14 N2 O3 | | SMILES: | O=C(NCCCC(N)C(=O)O)C | | InChi: | InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 | | Definition date: | 2006-02-27 | | Last modified: | 2023-11-03 | | Identifier: | N~5~-acetyl-L-ornithine |
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 | | ORR | | Name: | 1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one | | Formula: | C16 H16 Cl N3 O | | SMILES: | Clc1cccc(c1)CC(=O)N1CCCc2c1cncc2N | | InChi: | InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-6-2-5-13-14(18)9-19-10-15(13)20/h1,3-4,7,9-10H,2,5-6,8,18H2 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one |
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 | | QSF | | Name: | (3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide | | Formula: | C19 H14 Cl N3 O2 | | SMILES: | Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide |
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 | | RL8 | | Name: | 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide | | Formula: | C19 H16 Cl N3 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)NC | | InChi: | InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide |
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 | | SE7 | | Name: | 2-AMINO-3-SELENINO-PROPIONIC ACID | | Formula: | C3 H7 N O4 Se | | SMILES: | O=C(O)C(N)C[Se](=O)O | | InChi: | InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 | | Definition date: | 2013-12-19 | | Last modified: | 2023-11-03 | | Release date: | 2013-12-25 | | Identifier: | 3-selenino-L-alanine |
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 | | SEC | | Name: | SELENOCYSTEINE | | Formula: | C3 H7 N O2 Se | | SMILES: | O=C(O)C(N)C[SeH] | | InChi: | InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-selanyl-L-alanine |
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 | | SEE | | Name: | trihydroxy(L-serinato-kappaO~3~)borate(1-) | | Formula: | C3 H9 B N O6 | | SMILES: | O=C(O)C(N)CO[B-](O)(O)O | | InChi: | InChI=1S/C3H9BNO6/c5-2(3(6)7)1-11-4(8,9)10/h2,8-10H,1,5H2,(H,6,7)/q-1/t2-/m0/s1 | | Definition date: | 2009-03-03 | | Last modified: | 2023-11-03 | | Identifier: | trihydroxy(L-serinato-kappaO~3~)borate(1-) |
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 | | QDU | | Name: | 2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H12 F2 N2 O | | SMILES: | Fc1cc(CC(=O)Nc2cncc3ccccc32)c(F)cc1 | | InChi: | InChI=1S/C17H12F2N2O/c18-13-5-6-15(19)12(7-13)8-17(22)21-16-10-20-9-11-3-1-2-4-14(11)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-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | SEL | | Name: | 2-AMINO-1,3-PROPANEDIOL | | Formula: | C3 H9 N O2 | | SMILES: | OCC(N)CO | | InChi: | InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2 | | Synonyms: | SERINOL | | Definition date: | 1999-10-14 | | Last modified: | 2023-11-03 | | Identifier: | 2-aminopropane-1,3-diol |
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 | | N2X | | Name: | (3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one | | Formula: | C17 H16 Br N O3 | | SMILES: | CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O | | InChi: | InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one |
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 | | RLR | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H21 Cl N4 O2 | | SMILES: | O=C1NCCC1N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H21ClN4O2/c24-16-6-5-15-12-28(21-7-8-26-23(21)30)13-19(18(15)9-16)22(29)27-20-11-25-10-14-3-1-2-4-17(14)20/h1-6,9-11,19,21H,7-8,12-13H2,(H,26,30)(H,27,29)/t19-,21-/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-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | SEM | | Name: | O-benzyl-L-serine | | Formula: | C10 H13 N O3 | | SMILES: | O=C(O)C(N)COCc1ccccc1 | | InChi: | InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-phenylmethoxy-propanoic acid | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-benzyl-L-serine |
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 | | QSX | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C27 H27 Cl N4 O3 | | SMILES: | CN1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C27H27ClN4O3/c1-31-15-20-11-19(31)16-32(20)25(33)12-27(8-9-35-24-7-6-18(28)10-22(24)27)26(34)30-23-14-29-13-17-4-2-3-5-21(17)23/h2-7,10,13-14,19-20H,8-9,11-12,15-16H2,1H3,(H,30,34)/t19-,20-,27-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | QE3 | | Name: | 2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C16 H12 Cl N3 O | | SMILES: | O=C(Cc1ccc(Cl)cn1)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C16H12ClN3O/c17-12-5-6-13(19-9-12)7-16(21)20-15-10-18-8-11-3-1-2-4-14(11)15/h1-6,8-10H,7H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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 | | SEP | | Name: | PHOSPHOSERINE | | Formula: | C3 H8 N O6 P | | SMILES: | O=P(O)(O)OCC(C(=O)O)N | | InChi: | InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | | Synonyms: | PHOSPHONOSERINE | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-phosphono-L-serine |
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 | | 0JT | | Name: | (4R)-4-amino-5-methylhexanoic acid | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)CCC(N)C(C)C | | InChi: | InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1 | | Definition date: | 2012-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2012-08-24 | | Identifier: | (4R)-4-amino-5-methylhexanoic acid |
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