 | | S6K | | Name: | 1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C27 H25 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2C)c1cncc2ccccc21 | | InChi: | InChI=1S/C27H25ClN4O3S/c1-18-13-32(24-12-30-11-19-4-2-3-5-22(19)24)25(33)27(18)16-31(14-20-6-7-21(28)10-23(20)27)36(34,35)17-26(15-29)8-9-26/h2-7,10-12,18H,8-9,13-14,16-17H2,1H3/t18-,27-/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | S7C | | Name: | 1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C28 H27 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2CC)c1cncc2ccccc21 | | InChi: | InChI=1S/C28H27ClN4O3S/c1-2-21-15-33(25-13-31-12-19-5-3-4-6-23(19)25)26(34)28(21)17-32(14-20-7-8-22(29)11-24(20)28)37(35,36)18-27(16-30)9-10-27/h3-8,11-13,21H,2,9-10,14-15,17-18H2,1H3/t21-,28-/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | ZYJ | | Name: | (4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2 | | InChi: | InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1 | | Definition date: | 2010-10-22 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
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 | | ZYK | | Name: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O6 | | SMILES: | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 | | InChi: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 | | Synonyms: | 3,4-dimethoxybenzamidoxy proline | | Definition date: | 2010-10-22 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline |
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 | | S7U | | Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C27 H25 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1 | | InChi: | InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/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'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | VYH | | Name: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one | | Formula: | C30 H36 Cl N7 O2 | | SMILES: | Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCOCC5)nc4N(CCCCN)C3=O | | InChi: | InChI=1S/C30H36ClN7O2/c1-21-6-4-7-27(35-21)22-8-9-24(26(31)19-22)25-18-23-20-34-30(33-11-5-12-37-14-16-40-17-15-37)36-28(23)38(29(25)39)13-3-2-10-32/h4,6-9,18-20H,2-3,5,10-17,32H2,1H3,(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-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one |
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 | | V4F | | Name: | 8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid | | Formula: | C12 H13 N2 O6 P | | SMILES: | NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19) | | Definition date: | 2023-02-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-07-19 | | Identifier: | 8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
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 | | V53 | | Name: | 8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid | | Formula: | C11 H11 N2 O6 P | | SMILES: | Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18) | | Definition date: | 2023-02-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-07-19 | | Identifier: | 8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
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 | | YHA | | Name: | Homocitrulline | | Formula: | C7 H15 N3 O3 | | SMILES: | NC(CCCCNC(N)=O)C(=O)O | | InChi: | InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 | | Synonyms: | N~6~-carbamoyl-L-lysine | | Definition date: | 2021-03-04 | | Last modified: | 2023-11-03 | | Release date: | 2022-05-25 | | Identifier: | N~6~-carbamoyl-L-lysine |
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 | | VM9 | | Name: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine | | Formula: | C29 H31 Cl F5 N7 O | | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1 | | InChi: | InChI=1S/C29H31ClF5N7O/c1-14-7-20(36)38-25(22(14)29(33,34)35)21-19(30)8-18-24(23(21)32)39-27(40-26(18)41-11-16-3-4-17(12-41)37-16)43-13-28-5-2-6-42(28)10-15(31)9-28/h7-8,15-17,37H,2-6,9-13H2,1H3,(H2,36,38)/t15-,16-,17+,28+/m1/s1 | | Definition date: | 2023-09-13 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine |
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 | | TPJ | | Name: | (5R)-5-tert-butyl-L-proline | | Formula: | C9 H17 N O2 | | SMILES: | O=C(O)C1NC(C(C)(C)C)CC1 | | InChi: | InChI=1S/C9H17NO2/c1-9(2,3)7-5-4-6(10-7)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1 | | Definition date: | 2012-03-15 | | Last modified: | 2023-11-03 | | Identifier: | (5R)-5-tert-butyl-L-proline |
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 | | TRF | | Name: | N1-FORMYL-TRYPTOPHAN | | Formula: | C12 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1n(c2)C=O | | InChi: | InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 1-formyl-L-tryptophan |
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 | | TVA | | Name: | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline | | Formula: | C13 H22 N2 O3 S | | SMILES: | O=C(O)C(NCC(O)C(N)Cc1sccc1)CCC | | InChi: | InChI=1S/C13H22N2O3S/c1-2-4-11(13(17)18)15-8-12(16)10(14)7-9-5-3-6-19-9/h3,5-6,10-12,15-16H,2,4,7-8,14H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1 | | Definition date: | 2014-06-24 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline |
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 | | 45F | | Name: | (4S)-4-(prop-2-yn-1-yloxy)-L-proline | | Formula: | C8 H11 N O3 | | SMILES: | O=C(O)C1NCC(OCC#C)C1 | | InChi: | InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1 | | Definition date: | 2015-02-09 | | Last modified: | 2023-11-03 | | Release date: | 2015-02-25 | | Identifier: | (4S)-4-(prop-2-yn-1-yloxy)-L-proline |
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 | | 45W | | Name: | (4S)-4-(ethynyloxy)-D-proline | | Formula: | C7 H9 N O3 | | SMILES: | O=C(O)C1NCC(OC#C)C1 | | InChi: | InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1 | | Definition date: | 2015-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2015-05-13 | | Identifier: | (4S)-4-(ethynyloxy)-D-proline |
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 | | 1C3 | | Name: | 1-(3,4,5-trimethoxybenzyl)-L-proline | | Formula: | C15 H21 N O5 | | SMILES: | O=C(O)C2N(Cc1cc(OC)c(OC)c(OC)c1)CCC2 | | InChi: | InChI=1S/C15H21NO5/c1-19-12-7-10(8-13(20-2)14(12)21-3)9-16-6-4-5-11(16)15(17)18/h7-8,11H,4-6,9H2,1-3H3,(H,17,18)/t11-/m0/s1 | | Definition date: | 2012-11-30 | | Last modified: | 2023-11-03 | | Release date: | 2013-04-03 | | Identifier: | 1-(3,4,5-trimethoxybenzyl)-L-proline |
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 | | CIR | | Name: | CITRULLINE | | Formula: | C6 H13 N3 O3 | | SMILES: | O=C(O)C(N)CCCNC(=O)N | | InChi: | InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | N~5~-carbamoyl-L-ornithine |
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 | | 9JV | | Name: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid | | Formula: | C11 H10 N2 O3 | | SMILES: | COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | | Definition date: | 2021-11-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-09-27 | | Identifier: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid |
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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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 | | KW9 | | Name: | 7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide | | Formula: | C19 H17 F N2 O4 | | SMILES: | COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21 | | InChi: | InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
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 | | KZC | | Name: | N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide | | Formula: | C18 H17 N3 O2 | | SMILES: | O=C(NCCNc1ccccc1)C1=CC(=O)Nc2ccccc21 | | InChi: | InChI=1S/C18H17N3O2/c22-17-12-15(14-8-4-5-9-16(14)21-17)18(23)20-11-10-19-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,20,23)(H,21,22) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide |
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 | | 0LF | | Name: | (4R)-4-(4-phenylbutoxy)-L-proline | | Formula: | C15 H21 N O3 | | SMILES: | O=C(O)C2NCC(OCCCCc1ccccc1)C2 | | InChi: | InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1 | | Definition date: | 2012-02-14 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-(4-phenylbutoxy)-L-proline |
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 | | 34E | | Name: | (3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine | | Formula: | C13 H27 N3 O3 | | SMILES: | O=C(O)C(NC)C(C)CN1CCN(CCOC)CC1 | | InChi: | InChI=1S/C13H27N3O3/c1-11(12(14-2)13(17)18)10-16-6-4-15(5-7-16)8-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,17,18)/t11-,12+/m1/s1 | | Definition date: | 2014-06-16 | | Last modified: | 2023-11-03 | | Release date: | 2014-11-12 | | Identifier: | (3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine |
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 | | 1WI | | Name: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione | | Formula: | C25 H27 F N4 O4 | | SMILES: | CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F | | InChi: | InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34) | | Definition date: | 2022-11-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione |
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 | | LHE | | Name: | N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline | | Formula: | C12 H26 N2 O3 | | SMILES: | O=C(O)C(NCC(O)C(N)CC(C)C)CCC | | InChi: | InChI=1S/C12H26N2O3/c1-4-5-10(12(16)17)14-7-11(15)9(13)6-8(2)3/h8-11,14-15H,4-7,13H2,1-3H3,(H,16,17)/t9-,10-,11+/m0/s1 | | Definition date: | 2014-06-23 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline |
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