![CV8 CV8](https://data.pdbj.org/pdbjplus/data/cc/svg/CV8.svg) | CV8 | Name: | 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone | Formula: | C21 H30 N2 O5 | SMILES: | COc1ccc(C=NOCC(=O)N2C[CH](C)O[CH](C)C2)cc1OC3CCCC3 | InChi: | InChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+/t15-,16+ | Definition date: | 2017-12-06 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone |
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![CZK CZK](https://data.pdbj.org/pdbjplus/data/cc/svg/CZK.svg) | CZK | Name: | (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol | Formula: | C22 H31 N3 O4 | SMILES: | COc1ccc(cc1OC2CCCC2)c3ccn(C[CH](O)CN4CCOCC4)n3 | InChi: | InChI=1S/C22H31N3O4/c1-27-21-7-6-17(14-22(21)29-19-4-2-3-5-19)20-8-9-25(23-20)16-18(26)15-24-10-12-28-13-11-24/h6-9,14,18-19,26H,2-5,10-13,15-16H2,1H3/t18-/m0/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol |
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![CZQ CZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/CZQ.svg) | CZQ | Name: | 2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone | Formula: | C21 H28 F2 N2 O5 | SMILES: | C[CH]1CN(C[CH](C)O1)C(=O)CON=Cc2ccc(OC(F)F)c(OC3CCCC3)c2 | InChi: | InChI=1S/C21H28F2N2O5/c1-14-11-25(12-15(2)28-14)20(26)13-27-24-10-16-7-8-18(30-21(22)23)19(9-16)29-17-5-3-4-6-17/h7-10,14-15,17,21H,3-6,11-13H2,1-2H3/b24-10+/t14-,15-/m1/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | 2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone |
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![CZT CZT](https://data.pdbj.org/pdbjplus/data/cc/svg/CZT.svg) | CZT | Name: | (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol | Formula: | C22 H34 N2 O5 | SMILES: | COc1ccc(C=NOC[CH](O)CN2C[CH](C)O[CH](C)C2)cc1OC3CCCC3 | InChi: | InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+/t16-,17+,19-/m1/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol |
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![D0B D0B](https://data.pdbj.org/pdbjplus/data/cc/svg/D0B.svg) | D0B | Name: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one | Formula: | C24 H33 N3 O4 | SMILES: | COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4C[CH](C)O[CH](C)C4)n3 | InChi: | InChI=1S/C24H33N3O4/c1-17-15-26(16-18(2)30-17)24(28)11-13-27-12-10-21(25-27)19-8-9-22(29-3)23(14-19)31-20-6-4-5-7-20/h8-10,12,14,17-18,20H,4-7,11,13,15-16H2,1-3H3/t17-,18-/m1/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one |
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![D0E D0E](https://data.pdbj.org/pdbjplus/data/cc/svg/D0E.svg) | D0E | Name: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one | Formula: | C22 H29 N3 O4 | SMILES: | COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4CCOCC4)n3 | InChi: | InChI=1S/C22H29N3O4/c1-27-20-7-6-17(16-21(20)29-18-4-2-3-5-18)19-8-10-25(23-19)11-9-22(26)24-12-14-28-15-13-24/h6-8,10,16,18H,2-5,9,11-15H2,1H3 | Definition date: | 2017-12-13 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one |
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![D5N D5N](https://data.pdbj.org/pdbjplus/data/cc/svg/D5N.svg) | D5N | Name: | (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol | Formula: | C22 H29 F2 N3 O4 | SMILES: | O[CH](CN1CCOCC1)Cn2nccc2c3ccc(OC(F)F)c(OC4CCCC4)c3 | InChi: | InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-25-27(19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m0/s1 | Definition date: | 2017-12-22 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol |
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![DD5 DD5](https://data.pdbj.org/pdbjplus/data/cc/svg/DD5.svg) | DD5 | Name: | (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol | Formula: | C22 H29 F2 N3 O4 | SMILES: | O[CH](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3 | InChi: | InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1 | Definition date: | 2018-01-11 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol |
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![AW8 AW8](https://data.pdbj.org/pdbjplus/data/cc/svg/AW8.svg) | AW8 | Name: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid | Formula: | C20 H15 Cl F N3 O3 | SMILES: | CC1=Nc2c(nc3ccc(F)cc3c2[CH](O)N1CC(O)=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C20H15ClFN3O3/c1-10-23-19-17(20(28)25(10)9-16(26)27)14-8-13(22)6-7-15(14)24-18(19)11-2-4-12(21)5-3-11/h2-8,20,28H,9H2,1H3,(H,26,27)/t20-/m1/s1 | Definition date: | 2017-08-24 | Last modified: | 2018-05-04 | Release date: | 2018-05-09 | Identifier: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid |
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![AV5 AV5](https://data.pdbj.org/pdbjplus/data/cc/svg/AV5.svg) | AV5 | Name: | 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid | Formula: | C20 H14 Cl N3 O3 | SMILES: | CC1=Nc2c(nc3ccccc3c2C(=O)N1CC(O)=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C20H14ClN3O3/c1-11-22-19-17(20(27)24(11)10-16(25)26)14-4-2-3-5-15(14)23-18(19)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3,(H,25,26) | Definition date: | 2017-08-23 | Last modified: | 2018-05-04 | Release date: | 2018-05-09 | Identifier: | 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid |
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![8FY 8FY](https://data.pdbj.org/pdbjplus/data/cc/svg/8FY.svg) | 8FY | Name: | N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Formula: | C21 H18 N8 | SMILES: | c2(c1c(cnc1nc(NC)n2)c4ccc3ncccc3c4)NCc5ncccn5 | InChi: | InChI=1S/C21H18N8/c1-22-21-28-19-18(20(29-21)27-12-17-24-8-3-9-25-17)15(11-26-19)13-5-6-16-14(10-13)4-2-7-23-16/h2-11H,12H2,1H3,(H3,22,26,27,28,29) | Definition date: | 2017-02-03 | Last modified: | 2018-05-04 | Release date: | 2018-05-09 | Identifier: | N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
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![9PT 9PT](https://data.pdbj.org/pdbjplus/data/cc/svg/9PT.svg) | 9PT | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol | Formula: | C32 H45 N4 O15 | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(CCC[n+]5cccc6ccccc56)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C32H45N4O15/c37-12-18-21(40)24(43)25(44)31(48-18)51-29-23(42)20(14-39)49-32(27(29)46)50-28-22(41)19(13-38)47-30(26(28)45)36-11-16(33-34-36)7-4-10-35-9-3-6-15-5-1-2-8-17(15)35/h1-3,5-6,8-9,11,18-32,37-46H,4,7,10,12-14H2/q+1/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+/m1/s1 | Definition date: | 2017-06-21 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol |
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![9C5 9C5](https://data.pdbj.org/pdbjplus/data/cc/svg/9C5.svg) | 9C5 | Name: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one | Formula: | C17 H17 N3 O2 | SMILES: | CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C17H17N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,21H,10-11H2,1H3,(H,18,19,22) | Definition date: | 2017-05-05 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
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![9CE 9CE](https://data.pdbj.org/pdbjplus/data/cc/svg/9CE.svg) | 9CE | Name: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one | Formula: | C14 H11 N3 O | SMILES: | Nc1ccccc1C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) | Definition date: | 2017-05-05 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one |
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![CVE CVE](https://data.pdbj.org/pdbjplus/data/cc/svg/CVE.svg) | CVE | Name: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid | Formula: | C27 H27 N7 O7 | SMILES: | C[CH](N1C(=O)N(C)C=C(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)C1=O)C(=O)N[CH](CO)CC(O)=O | InChi: | InChI=1S/C27H27N7O7/c1-15(24(38)30-18(14-35)11-23(36)37)34-26(40)21(13-33(2)27(34)41)32-25(39)16-7-9-17(10-8-16)29-22-12-28-19-5-3-4-6-20(19)31-22/h3-10,12-13,15,18,35H,11,14H2,1-2H3,(H,29,31)(H,30,38)(H,32,39)(H,36,37)/t15-,18+/m1/s1 | Definition date: | 2017-12-07 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid |
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![K29 K29](https://data.pdbj.org/pdbjplus/data/cc/svg/K29.svg) | K29 | Name: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | Formula: | C21 H18 N2 O3 S | SMILES: | OC(=O)[CH]1CSC2=C(C3CC3)C(=CC(=O)N12)Cc4cnc5ccccc5c4 | InChi: | InChI=1S/C21H18N2O3S/c24-18-9-15(8-12-7-14-3-1-2-4-16(14)22-10-12)19(13-5-6-13)20-23(18)17(11-27-20)21(25)26/h1-4,7,9-10,13,17H,5-6,8,11H2,(H,25,26)/t17-/m0/s1 | Definition date: | 2017-10-31 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
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![F5V F5V](https://data.pdbj.org/pdbjplus/data/cc/svg/F5V.svg) | F5V | Name: | N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide | Formula: | C21 H20 N4 O3 S | SMILES: | Cn1cc(cn1)c3cc2C(=CN(C(c2cc3)=O)C)c4cc(ccc4)NS(=O)(C)=O | InChi: | InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,1-3H3 | Definition date: | 2018-03-01 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide |
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![F5Y F5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F5Y.svg) | F5Y | Name: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one | Formula: | C23 H23 N3 O4 S | SMILES: | CCS(=O)(=O)c1cc(c(cc1)OC)C2=CN(C)C(=O)c3c2cc(cc3)c4cn(nc4)C | InChi: | InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3 | Definition date: | 2018-03-01 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one |
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![E1M E1M](https://data.pdbj.org/pdbjplus/data/cc/svg/E1M.svg) | E1M | Name: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid | Formula: | C23 H20 Cl2 N2 O3 | SMILES: | c4(C(C)Oc1cc2c(cc1)ncc(c2C3CC3)[C@H]=CC(O)=O)c(c(ccc4Cl)N)Cl | InChi: | InChI=1S/C23H20Cl2N2O3/c1-12(21-17(24)6-7-18(26)23(21)25)30-15-5-8-19-16(10-15)22(13-2-3-13)14(11-27-19)4-9-20(28)29/h4-13H,2-3,26H2,1H3,(H,28,29)/b9-4+/t12-/m0/s1 | Definition date: | 2017-11-27 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid |
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![AU7 AU7](https://data.pdbj.org/pdbjplus/data/cc/svg/AU7.svg) | AU7 | Name: | (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid | Formula: | C26 H24 Cl N O3 | SMILES: | c2(C1CC1)cccc(c2C(C)Oc3ccc5c(c3)c(C4CC4)c(cn5)[C@H]=[C@H]C(O)=O)Cl | InChi: | InChI=1S/C26H24ClNO3/c1-15(25-20(16-5-6-16)3-2-4-22(25)27)31-19-10-11-23-21(13-19)26(17-7-8-17)18(14-28-23)9-12-24(29)30/h2-4,9-17H,5-8H2,1H3,(H,29,30)/b12-9+/t15-/m0/s1 | Definition date: | 2017-07-25 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid |
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![8F0 8F0](https://data.pdbj.org/pdbjplus/data/cc/svg/8F0.svg) | 8F0 | Name: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one | Formula: | C22 H27 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4 | InChi: | InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16-/m0/s1 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one |
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![8F6 8F6](https://data.pdbj.org/pdbjplus/data/cc/svg/8F6.svg) | 8F6 | Name: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one | Formula: | C21 H25 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccccc4 | InChi: | InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3/t14-,15-/m1/s1 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one |
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![8F9 8F9](https://data.pdbj.org/pdbjplus/data/cc/svg/8F9.svg) | 8F9 | Name: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one | Formula: | C22 H27 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4 | InChi: | InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one |
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![8FC 8FC](https://data.pdbj.org/pdbjplus/data/cc/svg/8FC.svg) | 8FC | Name: | ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide | Formula: | C21 H25 N3 O3 S | SMILES: | CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13 | InChi: | InChI=1S/C21H25N3O3S/c1-14-5-10-17(11-6-14)28(26,27)22-15-7-12-18-19(13-15)24(16-8-9-16)21(2,3)20(25)23(18)4/h5-7,10-13,16,22H,8-9H2,1-4H3 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide |
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![YQA YQA](https://data.pdbj.org/pdbjplus/data/cc/svg/YQA.svg) | YQA | Name: | 5-hydroxy,-4,5-dihydroquinolinate | Formula: | C7 H7 N O5 | SMILES: | O[CH]1CC(=C(N=C1)C(O)=O)C(O)=O | InChi: | InChI=1S/C7H7NO5/c9-3-1-4(6(10)11)5(7(12)13)8-2-3/h2-3,9H,1H2,(H,10,11)(H,12,13)/t3-/m1/s1 | Definition date: | 2017-11-29 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | (3~{R})-3-oxidanyl-3,4-dihydropyridine-5,6-dicarboxylic acid |
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