![VFP VFP](https://data.pdbj.org/pdbjplus/data/cc/svg/VFP.svg) | VFP | Name: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | Formula: | C20 H17 N3 O4 | SMILES: | c21occc1c(ncc2)Oc3ccc(c(c3)C)C4=C(C(NC(N4C)=O)=O)C | InChi: | InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25) | Definition date: | 2020-08-10 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
|
![XBM XBM](https://data.pdbj.org/pdbjplus/data/cc/svg/XBM.svg) | XBM | Name: | N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide | Formula: | C20 H23 Cl2 N3 O5 S | SMILES: | C(C(NC(C(C)C)C(NO)=O)=O)(Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl | InChi: | InChI=1S/C20H23Cl2N3O5S/c1-12(2)18(20(27)24-28)23-19(26)17(8-13-6-4-3-5-7-13)25-31(29,30)16-10-14(21)9-15(22)11-16/h3-7,9-12,17-18,25,28H,8H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1 | Definition date: | 2020-12-08 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide |
|
![XC1 XC1](https://data.pdbj.org/pdbjplus/data/cc/svg/XC1.svg) | XC1 | Name: | N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide | Formula: | C17 H25 Cl2 N3 O5 S | SMILES: | C(C(CC)C)(C(=O)NC(C(=O)NO)CCC)NS(c1cc(cc(c1)Cl)Cl)(=O)=O | InChi: | InChI=1S/C17H25Cl2N3O5S/c1-4-6-14(16(23)21-25)20-17(24)15(10(3)5-2)22-28(26,27)13-8-11(18)7-12(19)9-13/h7-10,14-15,22,25H,4-6H2,1-3H3,(H,20,24)(H,21,23)/t10-,14-,15-/m0/s1 | Definition date: | 2020-12-09 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide |
|
![VWP VWP](https://data.pdbj.org/pdbjplus/data/cc/svg/VWP.svg) | VWP | Name: | N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide | Formula: | C29 H40 N8 O4 | SMILES: | C1(C=CCN1C(Cc2cccc3c2cccc3)=O)C(NC(C(=O)NC(C(=O)N)CCCNC(=N)N)CCCCN)=O | InChi: | InChI=1S/C29H40N8O4/c30-15-4-3-12-23(27(40)35-22(26(31)39)13-6-16-34-29(32)33)36-28(41)24-14-7-17-37(24)25(38)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,7-11,14,22-24H,3-4,6,12-13,15-18,30H2,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23-,24-/m0/s1 | Definition date: | 2020-09-17 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide |
|
![HHL HHL](https://data.pdbj.org/pdbjplus/data/cc/svg/HHL.svg) | HHL | Name: | N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide | Formula: | C23 H21 Cl2 F N4 O4 | SMILES: | COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C(F)=C)nc2)c1Cl | InChi: | InChI=1S/C23H21Cl2FN4O4/c1-12-6-5-7-16(29-22(31)13(2)26)21(12)30-23-27-9-14(10-28-23)34-11-15-19(24)17(32-3)8-18(33-4)20(15)25/h5-10H,2,11H2,1,3-4H3,(H,29,31)(H,27,28,30) | Definition date: | 2021-01-12 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | ~{N}-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide |
|
![V22 V22](https://data.pdbj.org/pdbjplus/data/cc/svg/V22.svg) | V22 | Name: | ~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide | Formula: | C25 H29 N6 O2 | SMILES: | O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)C4=CC(=O)[n]5ccccc5N4 | InChi: | InChI=1S/C25H29N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)(H,29,32) | Definition date: | 2021-04-07 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | ~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide |
|
![J40 J40](https://data.pdbj.org/pdbjplus/data/cc/svg/J40.svg) | J40 | Name: | [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate | Formula: | C39 H68 O16 P2 | SMILES: | CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CC | InChi: | InChI=1S/C39H68O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)38(35(43)37(39)45)54-56(46,47)48/h3,5,9,11,15-16,20,22,31,34-39,42-45H,4,6-8,10,12-14,17-19,21,23-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b5-3?,11-9?,16-15+,22-20+/t31-,34-,35+,36-,37-,38+,39+/m1/s1 | Definition date: | 2021-04-02 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | [(2~{R})-1-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5~{E},8~{E})-hexadeca-5,8,11,14-tetraenoate |
|
![U3A U3A](https://data.pdbj.org/pdbjplus/data/cc/svg/U3A.svg) | U3A | Name: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide | Formula: | C20 H17 F3 N4 O4 | SMILES: | C=2(NC(c1ccccc1C(F)(F)F)=NC(C=2O)=O)C(NCCc3ccnc(c3)OC)=O | InChi: | InChI=1S/C20H17F3N4O4/c1-31-14-10-11(6-8-24-14)7-9-25-18(29)15-16(28)19(30)27-17(26-15)12-4-2-3-5-13(12)20(21,22)23/h2-6,8,10,28H,7,9H2,1H3,(H,25,29)(H,26,27,30) | Definition date: | 2020-04-10 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide |
|
![U8W U8W](https://data.pdbj.org/pdbjplus/data/cc/svg/U8W.svg) | U8W | Name: | (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid | Formula: | C6 H15 O11 P S | SMILES: | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O | InChi: | InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1 | Definition date: | 2021-02-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid |
|
![G09 G09](https://data.pdbj.org/pdbjplus/data/cc/svg/G09.svg) | G09 | Name: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C28 H31 N5 O2 | SMILES: | CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4CC=C | InChi: | InChI=1S/C28H31N5O2/c1-3-15-33-27(34)26-25(13-14-29-26)31-28(33)30-23-16-22(17-32(2)18-23)21-9-11-24(12-10-21)35-19-20-7-5-4-6-8-20/h3-14,22-23,29H,1,15-19H2,2H3,(H,30,31)/t22-,23+/m0/s1 | Definition date: | 2020-07-14 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
|
![HVU HVU](https://data.pdbj.org/pdbjplus/data/cc/svg/HVU.svg) | HVU | Name: | 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol | Formula: | C14 H18 N2 O | SMILES: | CN1CCC(CC1)c2c[nH]c3ccc(O)cc23 | InChi: | InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3 | Definition date: | 2021-02-15 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 3-(1-methylpiperidin-4-yl)-1~{H}-indol-5-ol |
|
![EQC EQC](https://data.pdbj.org/pdbjplus/data/cc/svg/EQC.svg) | EQC | Name: | Arctigenin | Formula: | C21 H24 O6 | SMILES: | COc1cc(C[CH]2[CH](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O | InChi: | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 | Synonyms: | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one | Definition date: | 2020-01-20 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (3~{R},4~{R})-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one |
|
![OQZ OQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OQZ.svg) | OQZ | Name: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide | Formula: | C19 H22 Cl N3 O2 S | SMILES: | N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3sc(Cl)cc3 | InChi: | InChI=1S/C19H22ClN3O2S/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide |
|
![ORK ORK](https://data.pdbj.org/pdbjplus/data/cc/svg/ORK.svg) | ORK | Name: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid | Formula: | C25 H34 N3 O7 P | SMILES: | CC(C)C[CH](N[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N[CH](C)C(O)=O | InChi: | InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22-/m0/s1 | Definition date: | 2020-04-01 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid |
|
![OT2 OT2](https://data.pdbj.org/pdbjplus/data/cc/svg/OT2.svg) | OT2 | Name: | 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid | Formula: | C20 H16 N2 O10 S3 | SMILES: | O[S](=O)(=O)c1cc2C=CC(=O)[CH](NNc3ccc(c4ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O | InChi: | InChI=1S/C20H16N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,20-22H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/t20-/m0/s1 | Definition date: | 2020-04-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid |
|
![OT8 OT8](https://data.pdbj.org/pdbjplus/data/cc/svg/OT8.svg) | OT8 | Name: | ~{N}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | Formula: | C21 H16 F3 N5 O | SMILES: | FC(F)(F)c1cc(NCc2cn(nn2)c3ccc(Oc4ccccc4)cc3)ccn1 | InChi: | InChI=1S/C21H16F3N5O/c22-21(23,24)20-12-15(10-11-25-20)26-13-16-14-29(28-27-16)17-6-8-19(9-7-17)30-18-4-2-1-3-5-18/h1-12,14H,13H2,(H,25,26) | Definition date: | 2020-04-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | ~{N}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
|
![OU5 OU5](https://data.pdbj.org/pdbjplus/data/cc/svg/OU5.svg) | OU5 | Name: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione | Formula: | C20 H24 F2 N4 O3 | SMILES: | C[CH]1CN(CCN1c2cc(F)cc(F)c2)C(=O)CC[C]3(NC(=O)NC3=O)C4CC4 | InChi: | InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1 | Definition date: | 2020-04-05 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione |
|
![OYT OYT](https://data.pdbj.org/pdbjplus/data/cc/svg/OYT.svg) | OYT | Name: | 9-cyclopropyl-~{N}-methyl-purin-6-amine | Formula: | C9 H11 N5 | SMILES: | CNc1ncnc2n(cnc12)C3CC3 | InChi: | InChI=1S/C9H11N5/c1-10-8-7-9(12-4-11-8)14(5-13-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,12) | Definition date: | 2020-04-08 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 9-cyclopropyl-~{N}-methyl-purin-6-amine |
|
![OYZ OYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OYZ.svg) | OYZ | Name: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid | Formula: | C26 H24 N4 O3 | SMILES: | CCOc1ccccc1c2ccc(cc2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N | InChi: | InChI=1S/C26H24N4O3/c1-3-33-23-7-5-4-6-19(23)17-8-10-18(11-9-17)24-21(14-27)25(29-16(2)26(31)32)20-12-13-28-15-22(20)30-24/h4-11,13,16H,3,12,15H2,1-2H3,(H,29,30)(H,31,32)/t16-/m1/s1 | Definition date: | 2020-04-08 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid |
|
![OZ5 OZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/OZ5.svg) | OZ5 | Name: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid | Formula: | C26 H21 F N4 O2 | SMILES: | CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O | InChi: | InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1 | Definition date: | 2020-04-08 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid |
|
![OZ8 OZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/OZ8.svg) | OZ8 | Name: | 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one | Formula: | C20 H25 N3 O2 | SMILES: | O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4 | InChi: | InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1 | Definition date: | 2020-04-08 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one |
|
![P4Z P4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/P4Z.svg) | P4Z | Name: | (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide | Formula: | C25 H19 Cl F N5 O | SMILES: | CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(Cl)c4F)c1C#N)C(N)=O | InChi: | InChI=1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,29,33)(H,31,32)/t20-/m1/s1 | Definition date: | 2020-04-15 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide |
|
![QGZ QGZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QGZ.svg) | QGZ | Name: | 5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid | Formula: | C19 H17 N3 O4 S | SMILES: | OC(=O)c1cnn(c2cccc(N[S](=O)(=O)c3ccccc3)c2)c1C4CC4 | InChi: | InChI=1S/C19H17N3O4S/c23-19(24)17-12-20-22(18(17)13-9-10-13)15-6-4-5-14(11-15)21-27(25,26)16-7-2-1-3-8-16/h1-8,11-13,21H,9-10H2,(H,23,24) | Definition date: | 2020-06-17 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid |
|
![QH2 QH2](https://data.pdbj.org/pdbjplus/data/cc/svg/QH2.svg) | QH2 | Name: | 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid | Formula: | C27 H23 N3 O6 S | SMILES: | OC(=O)CN(c1cccc(c1)n2ncc(C(O)=O)c2[CH]3C[CH]3c4ccccc4)[S](=O)(=O)c5ccccc5 | InChi: | InChI=1S/C27H23N3O6S/c31-25(32)17-29(37(35,36)21-12-5-2-6-13-21)19-10-7-11-20(14-19)30-26(24(16-28-30)27(33)34)23-15-22(23)18-8-3-1-4-9-18/h1-14,16,22-23H,15,17H2,(H,31,32)(H,33,34)/t22-,23+/m1/s1 | Definition date: | 2020-06-17 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid |
|
![QH5 QH5](https://data.pdbj.org/pdbjplus/data/cc/svg/QH5.svg) | QH5 | Name: | ~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide | Formula: | C19 H17 N7 O2 S | SMILES: | O=[S](=O)(Nc1cccc(c1)n2ncc(c3n[nH]nn3)c2C4CC4)c5ccccc5 | InChi: | InChI=1S/C19H17N7O2S/c27-29(28,16-7-2-1-3-8-16)23-14-5-4-6-15(11-14)26-18(13-9-10-13)17(12-20-26)19-21-24-25-22-19/h1-8,11-13,23H,9-10H2,(H,21,22,24,25) | Definition date: | 2020-06-17 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | ~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide |
|