![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 |
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![IS7 IS7](https://data.pdbj.org/pdbjplus/data/cc/svg/IS7.svg) | IS7 | Name: | 1,5-dimethyl-3~{H}-indol-2-one | Formula: | C10 H11 N O | SMILES: | CN1C(=O)Cc2cc(C)ccc12 | InChi: | InChI=1S/C10H11NO/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3 | Definition date: | 2020-05-05 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 1,5-dimethyl-3~{H}-indol-2-one |
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![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 |
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![KK6 KK6](https://data.pdbj.org/pdbjplus/data/cc/svg/KK6.svg) | KK6 | Name: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile | Formula: | C31 H29 F N6 O3 | SMILES: | COc1cc2ncnc(N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(F)c(c6)C#N)c2cc1OC | InChi: | InChI=1S/C31H29FN6O3/c1-40-28-14-24-26(15-29(28)41-2)34-19-35-30(24)36-11-9-20(10-12-36)17-37-18-21-5-3-4-6-27(21)38(31(37)39)23-7-8-25(32)22(13-23)16-33/h3-8,13-15,19-20H,9-12,17-18H2,1-2H3 | Definition date: | 2020-06-24 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4~{H}-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile |
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![MW8 MW8](https://data.pdbj.org/pdbjplus/data/cc/svg/MW8.svg) | MW8 | Name: | 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide | Formula: | C27 H25 Br N4 O2 | SMILES: | Brc1ccc(cc1)c2oc(cc2)C(=O)N(Cc3ccccn3)c4ccc(cc4)N5CCNCC5 | InChi: | InChI=1S/C27H25BrN4O2/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31/h1-14,29H,15-19H2 | Definition date: | 2019-10-25 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide |
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![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 |
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![PN8 PN8](https://data.pdbj.org/pdbjplus/data/cc/svg/PN8.svg) | PN8 | Name: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol | Formula: | C7 H14 N3 O4 | SMILES: | O[CH]1C[CH](O)[CH](CN[N]#N)[CH](O)[CH]1O | InChi: | InChI=1S/C7H14N3O4/c8-10-9-2-3-4(11)1-5(12)7(14)6(3)13/h3-7,9,11-14H,1-2H2/t3-,4-,5-,6+,7+/m0/s1 | Definition date: | 2020-04-26 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[(azanylidyne-$l^{4}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol |
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![PO8 PO8](https://data.pdbj.org/pdbjplus/data/cc/svg/PO8.svg) | PO8 | Name: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | Formula: | C7 H16 N O5 | SMILES: | [NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/p+1/t2-,3+,4+,5-,6-,7-/m0/s1 | Definition date: | 2020-04-26 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | [(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]azanium |
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![HE9 HE9](https://data.pdbj.org/pdbjplus/data/cc/svg/HE9.svg) | HE9 | Name: | methyl 3,4-bis(oxidanyl)benzoate | Formula: | C8 H8 O4 | SMILES: | COC(=O)c1ccc(O)c(O)c1 | InChi: | InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3 | Definition date: | 2020-12-23 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | methyl 3,4-bis(oxidanyl)benzoate |
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![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 |
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![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 |
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![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 |
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![3IS 3IS](https://data.pdbj.org/pdbjplus/data/cc/svg/3IS.svg) | 3IS | Name: | 5-chloranyl-1,3-dihydroindol-2-one | Formula: | C8 H6 Cl N O | SMILES: | Clc1ccc2NC(=O)Cc2c1 | InChi: | InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11) | Definition date: | 2020-05-05 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 5-chloranyl-1,3-dihydroindol-2-one |
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![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 |
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![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 |
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![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 |
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![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 |
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![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 |
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![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 |
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![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 |
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![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) |
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![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 |
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![EJR EJR](https://data.pdbj.org/pdbjplus/data/cc/svg/EJR.svg) | EJR | Name: | N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine | Formula: | C20 H17 F N6 O | SMILES: | Cc1ncccc1c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25 | InChi: | InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | Definition date: | 2020-01-08 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | ~{N}-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
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![PWB PWB](https://data.pdbj.org/pdbjplus/data/cc/svg/PWB.svg) | PWB | Name: | 3',3'-c-[2'FdAMP-2'FdAM(PS)] | Formula: | C20 H24 F2 N10 O9 P2 S | SMILES: | [NH3+]c1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c([NH3+])ncnc67 | InChi: | InChI=1S/C20H22F2N10O9P2S/c21-9-13-8(39-19(9)31-5-29-11-15(23)25-3-27-17(11)31)2-37-43(35,44)41-14-7(1-36-42(33,34)40-13)38-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,34)(H,35,44)(H2,23,25,27)(H2,24,26,28)/p+2/t7-,8-,9-,10-,13-,14-,19-,20-,43-/m1/s1 | Synonyms: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3-oxidanyl-3,12-bis(oxidanylidene)-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine | Definition date: | 2020-04-29 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | [9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-azaniumylpurin-9-yl)-9,18-bis(fluoranyl)-3-oxidanyl-3,12-bis(oxidanylidene)-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-yl]azanium |
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![PZK PZK](https://data.pdbj.org/pdbjplus/data/cc/svg/PZK.svg) | PZK | Name: | 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile | Formula: | C15 H11 F N6 | SMILES: | Nc1ncnc(c2cnn(Cc3cccc(F)c3)c2)c1C#N | InChi: | InChI=1S/C15H11FN6/c16-12-3-1-2-10(4-12)7-22-8-11(6-21-22)14-13(5-17)15(18)20-9-19-14/h1-4,6,8-9H,7H2,(H2,18,19,20) | Definition date: | 2020-05-04 | Last modified: | 2021-05-07 | Release date: | 2021-05-12 | Identifier: | 4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile |
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