![W5Y W5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/W5Y.svg) | W5Y | Name: | 5'-O-(L-phenylalanylsulfamoyl)adenosine | Formula: | C19 H23 N7 O7 S | SMILES: | c1ccccc1CC(N)C(=O)NS(=O)(OCC2OC(C(C2O)O)n3c4c(nc3)c(ncn4)N)=O | InChi: | InChI=1S/C19H23N7O7S/c20-11(6-10-4-2-1-3-5-10)18(29)25-34(30,31)32-7-12-14(27)15(28)19(33-12)26-9-24-13-16(21)22-8-23-17(13)26/h1-5,8-9,11-12,14-15,19,27-28H,6-7,20H2,(H,25,29)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1 | Definition date: | 2020-09-29 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 5'-O-(L-phenylalanylsulfamoyl)adenosine |
|
![Y21 Y21](https://data.pdbj.org/pdbjplus/data/cc/svg/Y21.svg) | Y21 | Name: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid | Formula: | C20 H22 F N3 O4 | SMILES: | c1(cc4c5c(c1N2CCC(C2)C3(CC3)N)OCC(N5C(C(C(=O)O)=C4)=O)C)F | InChi: | InChI=1S/C20H22FN3O4/c1-10-9-28-17-15-11(6-13(19(26)27)18(25)24(10)15)7-14(21)16(17)23-5-2-12(8-23)20(22)3-4-20/h6-7,10,12H,2-5,8-9,22H2,1H3,(H,26,27)/t10-,12+/m0/s1 | Definition date: | 2021-01-27 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid |
|
![UUB UUB](https://data.pdbj.org/pdbjplus/data/cc/svg/UUB.svg) | UUB | Name: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide | Formula: | C30 H33 Cl N6 O2 | SMILES: | CN(C)CC=CC(=O)Nc1ccc(O[CH]2CCC[CH](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45)cc1 | InChi: | InChI=1S/C30H33ClN6O2/c1-37(2)16-6-11-28(38)34-20-12-14-22(15-13-20)39-23-8-5-7-21(17-23)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-4,6,9-15,18-19,21,23,32H,5,7-8,16-17H2,1-2H3,(H,34,38)(H,33,35,36)/t21-,23-/m1/s1 | Synonyms: | (~{E})-~{N}-[4-[(1~{R},3~{R})-3-[[5-chloranyl-4-(1~{H}-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide | Definition date: | 2021-03-19 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (~{E})-~{N}-[4-[(1~{R},3~{R})-3-[[5-chloranyl-4-(1~{H}-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide |
|
![HER HER](https://data.pdbj.org/pdbjplus/data/cc/svg/HER.svg) | HER | Name: | 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one | Formula: | C16 H12 O8 | SMILES: | COc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O | InChi: | InChI=1S/C16H12O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,17-20,22H,1H3 | Definition date: | 2020-12-23 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one |
|
![HF0 HF0](https://data.pdbj.org/pdbjplus/data/cc/svg/HF0.svg) | HF0 | Name: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one | Formula: | C16 H14 O8 | SMILES: | COc1cc(O)c2C(=O)[CH](O)[CH](Oc2c1)c3cc(O)c(O)c(O)c3 | InChi: | InChI=1S/C16H14O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,15-20,22H,1H3/t15-,16+/m1/s1 | Definition date: | 2020-12-23 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2~{S},3~{S})-7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-2,3-dihydrochromen-4-one |
|
![YQJ YQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YQJ.svg) | YQJ | Name: | N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine | Formula: | C21 H34 N6 O2 | SMILES: | CN(C)CCCNc1nc2cc(OC)c(OC)cc2c(n1)N1CCC(C1)N(C)C | InChi: | InChI=1S/C21H34N6O2/c1-25(2)10-7-9-22-21-23-17-13-19(29-6)18(28-5)12-16(17)20(24-21)27-11-8-15(14-27)26(3)4/h12-13,15H,7-11,14H2,1-6H3,(H,22,23,24) | Definition date: | 2021-03-22 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine |
|
![XVD XVD](https://data.pdbj.org/pdbjplus/data/cc/svg/XVD.svg) | XVD | Name: | 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol | Formula: | C14 H8 Cl F3 N2 O2 | SMILES: | n3c2c(cc(c1c(cccc1Cl)OC(F)(F)F)cc2)nc3O | InChi: | InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21) | Definition date: | 2021-01-15 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol |
|
![YDY YDY](https://data.pdbj.org/pdbjplus/data/cc/svg/YDY.svg) | YDY | Name: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide | Formula: | C26 H26 F8 N2 O6 S2 | SMILES: | c1(C(C(F)(F)F)(F)C(F)(F)F)nc2c(cc1)C3(C(CC2)C(CC3)NC(=O)C(C)(CS(C)(=O)=O)O)S(c4ccc(F)cc4)(=O)=O | InChi: | InChI=1S/C26H26F8N2O6S2/c1-22(38,13-43(2,39)40)21(37)36-19-11-12-23(44(41,42)15-5-3-14(27)4-6-15)16(19)7-9-18-17(23)8-10-20(35-18)24(28,25(29,30)31)26(32,33)34/h3-6,8,10,16,19,38H,7,9,11-13H2,1-2H3,(H,36,37)/t16-,19+,22+,23-/m0/s1 | Definition date: | 2021-02-23 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide |
|
![S9N S9N](https://data.pdbj.org/pdbjplus/data/cc/svg/S9N.svg) | S9N | Name: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid | Formula: | C11 H9 F N2 O4 S | SMILES: | N[S](=O)(=O)n1ccc(c2ccc(F)cc2)c1C(O)=O | InChi: | InChI=1S/C11H9FN2O4S/c12-8-3-1-7(2-4-8)9-5-6-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18) | Definition date: | 2020-11-12 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid |
|
![V5M V5M](https://data.pdbj.org/pdbjplus/data/cc/svg/V5M.svg) | V5M | Name: | (2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid | Formula: | C19 H18 O6 | SMILES: | c1(c(cc(cc1)C=Cc2cc(cc(c2O)OC)C=CC(=O)O)OC)O | InChi: | InChI=1S/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+ | Definition date: | 2020-06-30 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid |
|
![ZL7 ZL7](https://data.pdbj.org/pdbjplus/data/cc/svg/ZL7.svg) | ZL7 | Name: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) | Formula: | C23 H31 F4 N3 O5 S | SMILES: | OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1ccc(F)cc1)C(F)(F)F)C(=O)NC1CC1 | InChi: | InChI=1S/C23H31F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-20,29,31H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,19+,20-/m0/s1 | Definition date: | 2021-05-04 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name) |
|
![V5P V5P](https://data.pdbj.org/pdbjplus/data/cc/svg/V5P.svg) | V5P | Name: | lignostilbene | Formula: | C16 H16 O4 | SMILES: | c1(ccc(O)c(c1)OC)C=Cc2cc(c(cc2)O)OC | InChi: | InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+ | Synonyms: | 4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol) | Definition date: | 2020-06-30 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol) |
|
![SL7 SL7](https://data.pdbj.org/pdbjplus/data/cc/svg/SL7.svg) | SL7 | Name: | 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid | Formula: | C19 H18 N6 O4 | SMILES: | CN(C)c1noc(n1)c2cccc(CNc3ccc4n[nH]c(C(O)=O)c4c3)c2O | InChi: | InChI=1S/C19H18N6O4/c1-25(2)19-21-17(29-24-19)12-5-3-4-10(16(12)26)9-20-11-6-7-14-13(8-11)15(18(27)28)23-22-14/h3-8,20,26H,9H2,1-2H3,(H,22,23)(H,27,28) | Definition date: | 2020-03-11 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid |
|
![SLG SLG](https://data.pdbj.org/pdbjplus/data/cc/svg/SLG.svg) | SLG | Name: | 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid | Formula: | C24 H17 Cl2 F N2 O3 | SMILES: | CN(Cc1ccc(F)cc1c2ccc(C(O)=O)c(Cl)c2)C(=O)c3[nH]c4cc(Cl)ccc4c3 | InChi: | InChI=1S/C24H17Cl2FN2O3/c1-29(23(30)22-9-14-2-5-16(25)10-21(14)28-22)12-15-3-6-17(27)11-19(15)13-4-7-18(24(31)32)20(26)8-13/h2-11,28H,12H2,1H3,(H,31,32) | Definition date: | 2020-03-11 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid |
|
![SLJ SLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/SLJ.svg) | SLJ | Name: | 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid | Formula: | C18 H20 N4 O3 | SMILES: | CCCOc1ncccc1CN(C)c2ccc3n[nH]c(C(O)=O)c3c2 | InChi: | InChI=1S/C18H20N4O3/c1-3-9-25-17-12(5-4-8-19-17)11-22(2)13-6-7-15-14(10-13)16(18(23)24)21-20-15/h4-8,10H,3,9,11H2,1-2H3,(H,20,21)(H,23,24) | Definition date: | 2020-03-11 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid |
|
![SQH SQH](https://data.pdbj.org/pdbjplus/data/cc/svg/SQH.svg) | SQH | Name: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one | Formula: | C15 H10 O6 | SMILES: | Oc1ccc(cc1O)C2=CC(=O)c3ccc(O)c(O)c3O2 | InChi: | InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H | Synonyms: | 3',4',7,8-Tetrahydroxyflavone | Definition date: | 2020-05-15 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one |
|
![G5C G5C](https://data.pdbj.org/pdbjplus/data/cc/svg/G5C.svg) | G5C | Name: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C19 H19 N7 O2 | SMILES: | CNc1nc(Nc2ccc(cc2OC)N3CCCC3=O)nc4[nH]cc(C#N)c14 | InChi: | InChI=1S/C19H19N7O2/c1-21-17-16-11(9-20)10-22-18(16)25-19(24-17)23-13-6-5-12(8-14(13)28-2)26-7-3-4-15(26)27/h5-6,8,10H,3-4,7H2,1-2H3,(H3,21,22,23,24,25) | Definition date: | 2020-07-23 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|
![J3F J3F](https://data.pdbj.org/pdbjplus/data/cc/svg/J3F.svg) | J3F | Name: | (5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | Formula: | C26 H29 N3 O5 S | SMILES: | CCN(CC)c1ccc2c(OC(=O)C=C2N(C)CCOc3ccc(C[CH]4SC(=O)NC4=O)cc3)c1 | InChi: | InChI=1S/C26H29N3O5S/c1-4-29(5-2)18-8-11-20-21(16-24(30)34-22(20)15-18)28(3)12-13-33-19-9-6-17(7-10-19)14-23-25(31)27-26(32)35-23/h6-11,15-16,23H,4-5,12-14H2,1-3H3,(H,27,31,32)/t23-/m0/s1 | Definition date: | 2021-03-31 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (5~{S})-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
|
![U8B U8B](https://data.pdbj.org/pdbjplus/data/cc/svg/U8B.svg) | U8B | Name: | (2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid | Formula: | C22 H29 N5 O9 S2 | SMILES: | N[CH](CCC(=O)N[CH](CS[C]1(Cc2ccccc2)NC(=O)[C](S)(CO)NC1=O)C(=O)NCC(O)=O)C(O)=O | InChi: | InChI=1S/C22H29N5O9S2/c23-13(18(33)34)6-7-15(29)25-14(17(32)24-9-16(30)31)10-38-22(8-12-4-2-1-3-5-12)20(36)26-21(37,11-28)19(35)27-22/h1-5,13-14,28,37H,6-11,23H2,(H,24,32)(H,25,29)(H,26,36)(H,27,35)(H,30,31)(H,33,34)/t13-,14-,21+,22+/m0/s1 | Definition date: | 2021-01-28 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
|
![FJL FJL](https://data.pdbj.org/pdbjplus/data/cc/svg/FJL.svg) | FJL | Name: | (2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid | Formula: | C36 H54 O10 | SMILES: | CC1(C)[CH](CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O)O[CH]6O[CH]([CH](O)[CH](O)[CH]6O)C(O)=O | InChi: | InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21-,22-,23-,24-,25+,26-,27+,29+,32+,33-,34-,35+,36+/m0/s1 | Definition date: | 2020-05-22 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
|
![FZF FZF](https://data.pdbj.org/pdbjplus/data/cc/svg/FZF.svg) | FZF | Name: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C25 H29 N7 O3 | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)C(=O)N5CCOCC5 | InChi: | InChI=1S/C25H29N7O3/c1-34-20-13-16(24(33)32-9-11-35-12-10-32)7-8-19(20)29-25-30-22-21(17(14-26)15-27-22)23(31-25)28-18-5-3-2-4-6-18/h7-8,13,15,18H,2-6,9-12H2,1H3,(H3,27,28,29,30,31) | Definition date: | 2020-07-10 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|
![FZL FZL](https://data.pdbj.org/pdbjplus/data/cc/svg/FZL.svg) | FZL | Name: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C24 H27 N7 O2 | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)N5CCCC5=O | InChi: | InChI=1S/C24H27N7O2/c1-33-19-12-17(31-11-5-8-20(31)32)9-10-18(19)28-24-29-22-21(15(13-25)14-26-22)23(30-24)27-16-6-3-2-4-7-16/h9-10,12,14,16H,2-8,11H2,1H3,(H3,26,27,28,29,30) | Definition date: | 2020-07-10 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|
![FZO FZO](https://data.pdbj.org/pdbjplus/data/cc/svg/FZO.svg) | FZO | Name: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C23 H25 N7 O3 | SMILES: | COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCOCC4)n2)N5CCCC5=O | InChi: | InChI=1S/C23H25N7O3/c1-32-18-11-16(30-8-2-3-19(30)31)4-5-17(18)27-23-28-21-20(14(12-24)13-25-21)22(29-23)26-15-6-9-33-10-7-15/h4-5,11,13,15H,2-3,6-10H2,1H3,(H3,25,26,27,28,29) | Definition date: | 2020-07-10 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|
![FZR FZR](https://data.pdbj.org/pdbjplus/data/cc/svg/FZR.svg) | FZR | Name: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C17 H20 N8 | SMILES: | Cn1cc(Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC4)n2)cn1 | InChi: | InChI=1S/C17H20N8/c1-25-10-13(9-20-25)22-17-23-15-14(11(7-18)8-19-15)16(24-17)21-12-5-3-2-4-6-12/h8-10,12H,2-6H2,1H3,(H3,19,21,22,23,24) | Definition date: | 2020-07-10 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|
![G0U G0U](https://data.pdbj.org/pdbjplus/data/cc/svg/G0U.svg) | G0U | Name: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C24 H27 N7 O2 | SMILES: | COc1cc(ccc1Nc2nc(NCC3CCCC3)c4c([nH]cc4C#N)n2)N5CCCC5=O | InChi: | InChI=1S/C24H27N7O2/c1-33-19-11-17(31-10-4-7-20(31)32)8-9-18(19)28-24-29-22(26-13-15-5-2-3-6-15)21-16(12-25)14-27-23(21)30-24/h8-9,11,14-15H,2-7,10,13H2,1H3,(H3,26,27,28,29,30) | Definition date: | 2020-07-14 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
|