 | | RGX | | Name: | (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N4 O3 S | | SMILES: | O=S(=O)(NC1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H21ClN4O3S/c23-16-6-5-15-12-27(31(29,30)26-17-7-8-17)13-20(19(15)9-16)22(28)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20,26H,7-8,12-13H2,(H,25,28)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | 5ZA | | Name: | (5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-3-(2-HYDROXYETHYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE | | Formula: | C17 H19 N5 O4 | | SMILES: | O=C1N(C(=N/C1=Cc3c2c(cccc2nc3)N)C(N)C(O)C)CC(=O)O | | InChi: | InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1 | | Definition date: | 2003-04-22 | | Last modified: | 2023-11-03 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | THC | | Name: | N-METHYLCARBONYLTHREONINE | | Formula: | C6 H11 N O4 | | SMILES: | O=C(O)C(NC(=O)C)C(O)C | | InChi: | InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | N-acetyl-L-threonine |
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 | | QOC | | Name: | (3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one | | Formula: | C20 H16 Cl2 N2 O | | SMILES: | Clc1ccc(cc1Cl)C1CCCN(c2cncc3ccccc23)C1=O | | InChi: | InChI=1S/C20H16Cl2N2O/c21-17-8-7-13(10-18(17)22)16-6-3-9-24(20(16)25)19-12-23-11-14-4-1-2-5-15(14)19/h1-2,4-5,7-8,10-12,16H,3,6,9H2/t16-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
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 | | PTM | | Name: | ALPHA-METHYL-O-PHOSPHOTYROSINE | | Formula: | C10 H14 N O6 P | | SMILES: | O=P(Oc1ccc(cc1)CC(C(=O)O)(N)C)(O)O | | InChi: | InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1 | | Definition date: | 2001-09-19 | | Last modified: | 2023-11-03 | | Identifier: | alpha-methyl-O-phosphono-L-tyrosine |
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 | | V44 | | Name: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine | | Formula: | C13 H19 N5 O2 S | | SMILES: | C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O | | InChi: | InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1 | | Definition date: | 2020-06-23 | | Last modified: | 2023-11-03 | | Release date: | 2021-06-30 | | Identifier: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine |
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 | | ONL | | Name: | 5-OXO-L-NORLEUCINE | | Formula: | C6 H11 N O3 | | SMILES: | O=C(CCC(N)C(=O)O)C | | InChi: | InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 5-oxo-L-norleucine |
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 | | 0E5 | | Name: | (2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid | | Formula: | C6 H13 N O3 | | SMILES: | O=C(O)C(N)C(O)(C)CC | | InChi: | InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1 | | Definition date: | 2011-12-22 | | Last modified: | 2023-11-03 | | Identifier: | (2S,3S)-2-amino-3-hydroxy-3-methylpentanoic acid (non-preferred name) |
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 | | PTR | | Name: | O-PHOSPHOTYROSINE | | Formula: | C9 H12 N O6 P | | SMILES: | O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O | | InChi: | InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | | Synonyms: | PHOSPHONOTYROSINE | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-phosphono-L-tyrosine |
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 | | MYN | | Name: | (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid | | Formula: | C6 H12 N4 O2 | | SMILES: | N[CH]([CH]1CCNC(=N1)N)C(O)=O | | InChi: | InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1 | | Definition date: | 2010-02-12 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-2-[(4R)-2-azanyl-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid |
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 | | R3I | | Name: | (3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one | | Formula: | C20 H14 Cl F N2 O2 | | SMILES: | Fc1cc2c(cc1)cncc2N1CCC2(COc3ccc(Cl)cc32)C1=O | | InChi: | InChI=1S/C20H14ClFN2O2/c21-13-2-4-18-16(7-13)20(11-26-18)5-6-24(19(20)25)17-10-23-9-12-1-3-14(22)8-15(12)17/h1-4,7-10H,5-6,11H2/t20-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one |
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 | | WFP | | Name: | 3,5-difluoro-L-phenylalanine | | Formula: | C9 H9 F2 N O2 | | SMILES: | N[CH](Cc1cc(F)cc(F)c1)C(O)=O | | InChi: | InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2009-12-13 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid |
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 | | PF5 | | Name: | 2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE | | Formula: | C9 H6 F5 N O2 | | SMILES: | Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N | | InChi: | InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1 | | Synonyms: | FLUORINATED PHENYLALANINE | | Definition date: | 2006-09-12 | | Last modified: | 2023-11-03 | | Identifier: | 2,3,4,5,6-pentafluoro-L-phenylalanine |
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 | | VZ2 | | Name: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one | | Formula: | C30 H34 Cl N7 O2 | | SMILES: | Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCCC5=O)nc4N(CCCCN)C3=O | | InChi: | InChI=1S/C30H34ClN7O2/c1-20-7-4-8-26(35-20)21-10-11-23(25(31)18-21)24-17-22-19-34-30(33-13-6-15-37-14-5-9-27(37)39)36-28(22)38(29(24)40)16-3-2-12-32/h4,7-8,10-11,17-19H,2-3,5-6,9,12-16,32H2,1H3,(H,33,34,36) | | Definition date: | 2023-09-20 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one |
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 | | 0EA | | Name: | (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine | | Formula: | C10 H13 N O5 | | SMILES: | O=C(O)C(NC)C(O)c1cc(O)c(O)cc1 | | InChi: | InChI=1S/C10H13NO5/c1-11-8(10(15)16)9(14)5-2-3-6(12)7(13)4-5/h2-4,8-9,11-14H,1H3,(H,15,16)/t8-,9+/m0/s1 | | Definition date: | 2011-12-22 | | Last modified: | 2023-11-03 | | Identifier: | (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine |
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 | | ONU | | Name: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one | | Formula: | C20 H19 N3 O3 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccccc2OC)C1 | | InChi: | InChI=1S/C20H19N3O3/c1-26-18-9-5-4-8-17(18)21-13-11-23(12-13)20(25)15-10-19(24)22-16-7-3-2-6-14(15)16/h2-10,13,21H,11-12H2,1H3,(H,22,24) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one |
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 | | T2X | | Name: | (2R)-2-hydroxy-5-methylhexanoic acid | | Formula: | C7 H14 O3 | | SMILES: | CC(C)CCC(O)C(O)=O | | InChi: | InChI=1S/C7H14O3/c1-5(2)3-4-6(8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1 | | Definition date: | 2022-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | (2R)-2-hydroxy-5-methylhexanoic acid |
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 | | T3 | | Name: | 3,5,3'TRIIODOTHYRONINE | | Formula: | C15 H12 I3 N O4 | | SMILES: | O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 | | InChi: | InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | | Synonyms: | T3 | | Definition date: | 1999-07-12 | | Last modified: | 2023-11-03 | | Identifier: | O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine |
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 | | 0EH | | Name: | (2R)-2-amino-2-methylnonanoic acid | | Formula: | C10 H21 N O2 | | SMILES: | O=C(O)C(N)(CCCCCCC)C | | InChi: | InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1 | | Definition date: | 2011-12-26 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-2-amino-2-methylnonanoic acid |
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 | | WG0 | | Name: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid | | Formula: | C19 H17 Cl N4 O2 S | | SMILES: | O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21 | | InChi: | InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1 | | Definition date: | 2022-09-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-10-04 | | Identifier: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid |
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 | | OO1 | | Name: | (4-methylphenyl)carbamic acid | | Formula: | C8 H9 N O2 | | SMILES: | C(O)(=O)Nc1ccc(cc1)C | | InChi: | InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)9-8(10)11/h2-5,9H,1H3,(H,10,11) | | Definition date: | 2019-07-01 | | Last modified: | 2023-11-03 | | Release date: | 2019-11-06 | | Identifier: | (4-methylphenyl)carbamic acid |
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 | | RHI | | Name: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H23 Cl N4 O4 S | | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C23H23ClN4O4S/c1-25-22(29)13-28-11-14-3-4-16(24)8-19(14)20(12-28)23(30)27-21-10-26-9-15-7-17(33(2,31)32)5-6-18(15)21/h3-10,20H,11-13H2,1-2H3,(H,25,29)(H,27,30)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | QOU | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C22 H22 Cl N3 O2 | | SMILES: | Clc1ccc2NCCC(CCOC)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H22ClN3O2/c1-28-11-9-22(8-10-25-19-7-6-16(23)12-18(19)22)21(27)26-20-14-24-13-15-4-2-3-5-17(15)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27)/t22-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | SAR | | Name: | SARCOSINE | | Formula: | C3 H7 N O2 | | SMILES: | O=C(O)CNC | | InChi: | InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | N-methylglycine |
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 | | OO6 | | Name: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H17 Cl N2 O2 | | SMILES: | Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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