![LND LND](https://data.pdbj.org/pdbjplus/data/cc/svg/LND.svg) | LND | Name: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium | Formula: | C13 H16 N5 O2 | SMILES: | c1[n+](ccc(c1)C(N)=O)CCCn2c(ncc2)C=NO | InChi: | InChI=1S/C13H15N5O2/c14-13(19)11-2-7-17(8-3-11)5-1-6-18-9-4-15-12(18)10-16-20/h2-4,7-10H,1,5-6H2,(H2-,14,15,19,20)/p+1 | Definition date: | 2019-03-05 | Last modified: | 2019-05-24 | Release date: | 2019-05-29 | Identifier: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium |
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![ONC ONC](https://data.pdbj.org/pdbjplus/data/cc/svg/ONC.svg) | ONC | Name: | 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one | Formula: | C24 H24 N4 O | SMILES: | Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O | InChi: | InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3 | Definition date: | 2018-06-03 | Last modified: | 2019-05-03 | Release date: | 2019-05-08 | Identifier: | 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one |
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![EWE EWE](https://data.pdbj.org/pdbjplus/data/cc/svg/EWE.svg) | EWE | Name: | [(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium | Formula: | C19 H23 N5 O6 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)[CH]([NH3+])Cc2c[nH]c3ccccc23)c1O | InChi: | InChI=1S/C19H22N5O6P/c1-11-18(25)15(13(8-21-11)10-30-31(27,28)29)9-23-24-19(26)16(20)6-12-7-22-17-5-3-2-4-14(12)17/h2-5,7-9,16,22,25H,6,10,20H2,1H3,(H,24,26)(H2,27,28,29)/p+1/b23-9+/t16-/m0/s1 | Definition date: | 2018-04-27 | Last modified: | 2019-05-03 | Release date: | 2019-05-08 | Identifier: | [(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium |
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![BQ9 BQ9](https://data.pdbj.org/pdbjplus/data/cc/svg/BQ9.svg) | BQ9 | Name: | (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate | Formula: | C29 H50 O5 | SMILES: | C(=O)(CCCC=CCC=[C@H]C[C@H]=CCC)OC(CO)COC(CCCCCCCCCCC)=O | InChi: | InChI=1S/C29H50O5/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-17-15-12-10-8-6-4-2/h5,7,11,13,16,18,27,30H,3-4,6,8-10,12,14-15,17,19-26H2,1-2H3/b7-5+,13-11+,18-16+/t27-/m1/s1 | Definition date: | 2019-02-28 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate |
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![C0X C0X](https://data.pdbj.org/pdbjplus/data/cc/svg/C0X.svg) | C0X | Name: | (2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid | Formula: | C20 H35 O7 P | SMILES: | CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O | InChi: | InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13+/t19-/m0/s1 | Definition date: | 2019-04-04 | Last modified: | 2019-04-12 | Release date: | 2019-04-17 | Identifier: | (2~{S})-3-dimethoxyphosphoryloxy-2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid |
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![D29 D29](https://data.pdbj.org/pdbjplus/data/cc/svg/D29.svg) | D29 | Name: | (Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol | Formula: | C13 H11 F6 N O S2 | SMILES: | FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CCN=C/S)cc(c1)C(F)(F)F | InChi: | InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1 | Definition date: | 2018-04-25 | Last modified: | 2019-04-12 | Release date: | 2019-04-17 | Identifier: | (Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol |
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![GE5 GE5](https://data.pdbj.org/pdbjplus/data/cc/svg/GE5.svg) | GE5 | Name: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide | Formula: | C31 H26 F N5 O3 S | SMILES: | COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(N=Nc4ccccc4)nc3c5ccc(F)cc5)c1 | InChi: | InChI=1S/C31H26FN5O3S/c1-39-25-13-14-26(40-2)21(18-25)10-15-28(38)34-27-19-22(16-17-33-27)30-29(20-8-11-23(32)12-9-20)35-31(41-30)37-36-24-6-4-3-5-7-24/h3-9,11-14,16-19H,10,15H2,1-2H3,(H,33,34,38)/b37-36+ | Definition date: | 2018-09-13 | Last modified: | 2019-04-12 | Release date: | 2019-04-17 | Identifier: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide |
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![GEW GEW](https://data.pdbj.org/pdbjplus/data/cc/svg/GEW.svg) | GEW | Name: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide | Formula: | C32 H28 F2 N6 O3 | SMILES: | COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3n(C)c(N=Nc4ccc(F)cc4)nc3c5ccc(F)cc5)c1 | InChi: | InChI=1S/C32H28F2N6O3/c1-40-31(30(20-4-7-23(33)8-5-20)37-32(40)39-38-25-11-9-24(34)10-12-25)22-16-17-35-28(19-22)36-29(41)15-6-21-18-26(42-2)13-14-27(21)43-3/h4-5,7-14,16-19H,6,15H2,1-3H3,(H,35,36,41)/b39-38+ | Definition date: | 2018-09-13 | Last modified: | 2019-04-12 | Release date: | 2019-04-17 | Identifier: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide |
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![GUJ GUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/GUJ.svg) | GUJ | Name: | 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine | Formula: | C17 H17 N3 O S | SMILES: | c3(nnc4COCc1c(sc(c1Cc2ccccc2)C)n34)C | InChi: | InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3 | Definition date: | 2018-06-01 | Last modified: | 2019-04-12 | Release date: | 2019-04-17 | Identifier: | 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine |
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![KG7 KG7](https://data.pdbj.org/pdbjplus/data/cc/svg/KG7.svg) | KG7 | Name: | (2E)-2-(hydroxyimino)propanoic acid | Formula: | C3 H5 N O3 | SMILES: | O=C(O)C(=NO)C | InChi: | InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+ | Definition date: | 2018-12-03 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | (2E)-2-(hydroxyimino)propanoic acid |
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![9S6 9S6](https://data.pdbj.org/pdbjplus/data/cc/svg/9S6.svg) | 9S6 | Name: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol | Formula: | C30 H36 N2 O2 | SMILES: | CC(C)N1CCN(CC1)c2ccc(cc2)C(c3cccc(O)c3)=C(CCCO)c4ccccc4 | InChi: | InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+ | Definition date: | 2018-07-05 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol |
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![LTJ LTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/LTJ.svg) | LTJ | Name: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide | Formula: | C20 H25 F N4 O2 | SMILES: | C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)NC(C=[C@H]C)=O | InChi: | InChI=1S/C20H25FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h4,6,9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/b6-4+/t13-/m0/s1 | Definition date: | 2019-03-13 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide |
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![99C 99C](https://data.pdbj.org/pdbjplus/data/cc/svg/99C.svg) | 99C | Name: | (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate | Formula: | C12 H18 O8 P2 | SMILES: | OC/C(Cc1ccc(C)cc1)=C/COP(OP(O)(O)=O)(O)=O | InChi: | InChI=1S/C12H18O8P2/c1-10-2-4-11(5-3-10)8-12(9-13)6-7-19-22(17,18)20-21(14,15)16/h2-6,13H,7-9H2,1H3,(H,17,18)(H2,14,15,16)/b12-6+ | Definition date: | 2018-02-06 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate |
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![FJJ FJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FJJ.svg) | FJJ | Name: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) | Formula: | C32 H52 N2 O10 | SMILES: | C(COC1OC(CO)C(O)C(C1O)O)(C(O)C(CCCC(=O)N=[C@H]CCCc2ccccc2)O)NC(CCCCCCC)=O | InChi: | InChI=1S/C32H52N2O10/c1-2-3-4-5-9-17-27(38)34-23(21-43-32-31(42)30(41)29(40)25(20-35)44-32)28(39)24(36)16-12-18-26(37)33-19-11-10-15-22-13-7-6-8-14-22/h6-8,13-14,19,23-25,28-32,35-36,39-42H,2-5,9-12,15-18,20-21H2,1H3,(H,34,38)/b33-19+/t23-,24+,25+,28-,29-,30-,31+,32-/m0/s1 | Definition date: | 2018-04-03 | Last modified: | 2019-03-29 | Release date: | 2019-04-03 | Identifier: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
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![HKW HKW](https://data.pdbj.org/pdbjplus/data/cc/svg/HKW.svg) | HKW | Name: | 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide | Formula: | C42 H55 N6 O5 | SMILES: | CN1c2ccccc2C(C)(C)C1=CC=CC=CC3=[N+](CCCCCC(=O)NCc4cn(C[CH]5[CH](O)C[CH](O)[CH](O)[CH]5O)nn4)c6ccccc6C3(C)C | InChi: | InChI=1S/C42H54N6O5/c1-41(2)30-16-11-13-18-32(30)46(5)36(41)20-8-6-9-21-37-42(3,4)31-17-12-14-19-33(31)48(37)23-15-7-10-22-38(51)43-25-28-26-47(45-44-28)27-29-34(49)24-35(50)40(53)39(29)52/h6,8-9,11-14,16-21,26,29,34-35,39-40,49-50,52-53H,7,10,15,22-25,27H2,1-5H3/p+1/t29-,34-,35-,39+,40+/m0/s1 | Definition date: | 2018-12-13 | Last modified: | 2019-03-22 | Release date: | 2019-03-27 | Identifier: | 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide |
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![E8E E8E](https://data.pdbj.org/pdbjplus/data/cc/svg/E8E.svg) | E8E | Name: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide | Formula: | C30 H38 N4 O5 | SMILES: | CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)C(=O)NCc3ccccc3 | InChi: | InChI=1S/C30H38N4O5/c1-20(2)17-25(33-26(35)14-13-21-9-5-3-6-10-21)29(38)34-24(18-23-15-16-31-28(23)37)27(36)30(39)32-19-22-11-7-4-8-12-22/h3-14,20,23-25,27,36H,15-19H2,1-2H3,(H,31,37)(H,32,39)(H,33,35)(H,34,38)/b14-13+/t23-,24-,25-,27+/m0/s1 | Definition date: | 2018-03-01 | Last modified: | 2019-03-15 | Release date: | 2019-03-20 | Identifier: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide |
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![HHW HHW](https://data.pdbj.org/pdbjplus/data/cc/svg/HHW.svg) | HHW | Name: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid | Formula: | C16 H12 Cl N O3 | SMILES: | OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2 | InChi: | InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+ | Definition date: | 2018-12-06 | Last modified: | 2019-03-15 | Release date: | 2019-03-20 | Identifier: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid |
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![LJS LJS](https://data.pdbj.org/pdbjplus/data/cc/svg/LJS.svg) | LJS | Name: | (2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid | Formula: | C13 H18 N2 O10 P2 | SMILES: | N1C(C)=C(O)C(C(=C1)COP(O)(=O)O)=[C@H]N=C(C(O)=O)[C@H]=[C@H]CP(O)(=O)O | InChi: | InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5-6,14,16H,4,7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2-,10-6-,15-11+ | Definition date: | 2019-02-25 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid |
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![9F6 9F6](https://data.pdbj.org/pdbjplus/data/cc/svg/9F6.svg) | 9F6 | Name: | (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one | Formula: | C14 H11 N O2 | SMILES: | Oc1ccccc1C(=O)[C@H]=[C@H]c2cnccc2 | InChi: | InChI=1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+ | Definition date: | 2018-03-14 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one |
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![93O 93O](https://data.pdbj.org/pdbjplus/data/cc/svg/93O.svg) | 93O | Name: | 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | Formula: | C27 H26 N2 O7 | SMILES: | c1(nc(c(c(c1C(=O)OCCOC)c2cc(ccc2)[N+]([O-])=O)C(=O)OC[C@H]=Cc3ccccc3)C)C | InChi: | InChI=1S/C27H26N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17H,14-16H2,1-3H3/b11-8+ | Definition date: | 2017-12-11 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
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![QCY QCY](https://data.pdbj.org/pdbjplus/data/cc/svg/QCY.svg) | QCY | Name: | 2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium) | Formula: | C26 H22 N2 O S2 | SMILES: | c45sc(C=Cc3cc(C=[C@H]c2sc1ccccc1[n+]2C)ccc3O)[n+](c4cccc5)C | InChi: | InChI=1S/C26H21N2OS2/c1-27-20-7-3-5-9-23(20)30-25(27)15-12-18-11-14-22(29)19(17-18)13-16-26-28(2)21-8-4-6-10-24(21)31-26/h3-17H,1-2H3/q+1/p+1 | Definition date: | 2018-10-19 | Last modified: | 2019-03-01 | Release date: | 2019-03-06 | Identifier: | 2,2'-{(4-hydroxy-1,3-phenylene)di[(E)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium) |
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![9NX 9NX](https://data.pdbj.org/pdbjplus/data/cc/svg/9NX.svg) | 9NX | Name: | 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol | Formula: | C17 H15 Br N4 O2 S | SMILES: | COc1cc(C=Nn2c(SC)nnc2c3ccccc3)c(Br)cc1O | InChi: | InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+ | Definition date: | 2018-06-11 | Last modified: | 2019-03-01 | Release date: | 2019-03-06 | Identifier: | 5-bromanyl-2-methoxy-4-[(~{E})-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol |
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![9AU 9AU](https://data.pdbj.org/pdbjplus/data/cc/svg/9AU.svg) | 9AU | Name: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one | Formula: | C24 H30 O3 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)c2ccccc2OC1=O | InChi: | InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+ | Definition date: | 2018-02-26 | Last modified: | 2019-02-22 | Release date: | 2019-02-27 | Identifier: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one |
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![JGB JGB](https://data.pdbj.org/pdbjplus/data/cc/svg/JGB.svg) | JGB | Name: | (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide | Formula: | C10 H8 N2 O3 | SMILES: | NC(=O)C(=Cc1ccc(O)c(O)c1)C#N | InChi: | InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+ | Definition date: | 2019-02-20 | Last modified: | 2019-02-22 | Release date: | 2019-02-27 | Identifier: | (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide |
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![9A6 9A6](https://data.pdbj.org/pdbjplus/data/cc/svg/9A6.svg) | 9A6 | Name: | 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine | Formula: | C25 H27 N7 | SMILES: | CN1CCN(CC1)c3cc4nc([C@H]=Cc2ccccc2)nc(c4cc3)Nc5cc(nn5)C | InChi: | InChI=1S/C25H27N7/c1-18-16-24(30-29-18)28-25-21-10-9-20(32-14-12-31(2)13-15-32)17-22(21)26-23(27-25)11-8-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b11-8+ | Definition date: | 2018-02-13 | Last modified: | 2019-02-08 | Release date: | 2019-02-13 | Identifier: | 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine |
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