![UTC UTC](https://data.pdbj.org/pdbjplus/data/cc/svg/UTC.svg) | UTC | Name: | (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide | Formula: | C33 H32 N4 O4 | SMILES: | Oc1ccc(cc1)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2ccccc21 | InChi: | InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1 | Definition date: | 2022-08-25 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide |
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![YBP YBP](https://data.pdbj.org/pdbjplus/data/cc/svg/YBP.svg) | YBP | Name: | ~{N}-(8-chloranylquinolin-2-yl)propanamide | Formula: | C12 H11 Cl N2 O | SMILES: | CCC(=O)Nc1ccc2cccc(Cl)c2n1 | InChi: | InChI=1S/C12H11ClN2O/c1-2-11(16)14-10-7-6-8-4-3-5-9(13)12(8)15-10/h3-7H,2H2,1H3,(H,14,15,16) | Definition date: | 2023-06-13 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | ~{N}-(8-chloranylquinolin-2-yl)propanamide |
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![YBU YBU](https://data.pdbj.org/pdbjplus/data/cc/svg/YBU.svg) | YBU | Name: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine | Formula: | C9 H7 N3 O | SMILES: | N=Cc1oc(nn1)c2ccccc2 | InChi: | InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6- | Definition date: | 2023-06-13 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine |
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![YC5 YC5](https://data.pdbj.org/pdbjplus/data/cc/svg/YC5.svg) | YC5 | Name: | 4-azanyl-3-fluoranyl-benzenethiol | Formula: | C6 H6 F N S | SMILES: | Nc1ccc(S)cc1F | InChi: | InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2 | Definition date: | 2023-06-13 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 4-azanyl-3-fluoranyl-benzenethiol |
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![YJN YJN](https://data.pdbj.org/pdbjplus/data/cc/svg/YJN.svg) | YJN | Name: | N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide | Formula: | C21 H16 N2 O4 | SMILES: | OC=1C(=O)C=C(C)OC=1C(=O)NCc1ccc(cc1)c1ccccc1C#N | InChi: | InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)11-22/h2-10,25H,12H2,1H3,(H,23,26) | Definition date: | 2023-02-08 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide |
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![YJR YJR](https://data.pdbj.org/pdbjplus/data/cc/svg/YJR.svg) | YJR | Name: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide | Formula: | C24 H18 F2 N4 O2 | SMILES: | Fc1cc(cc(F)c1CNC(=O)C1=NN(c2cnccc2)C(C)=CC1=O)c1ccccc1 | InChi: | InChI=1S/C24H18F2N4O2/c1-15-10-22(31)23(29-30(15)18-8-5-9-27-13-18)24(32)28-14-19-20(25)11-17(12-21(19)26)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,28,32) | Definition date: | 2023-02-08 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide |
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![KZ0 KZ0](https://data.pdbj.org/pdbjplus/data/cc/svg/KZ0.svg) | KZ0 | Name: | 2,4,6-tris(chloromethyl)-1,3,5-triazine | Formula: | C6 H6 Cl3 N3 | SMILES: | ClCc1nc(CCl)nc(CCl)n1 | InChi: | InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2 | Synonyms: | Chemical crosslinker | Definition date: | 2022-06-08 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 2,4,6-tris(chloromethyl)-1,3,5-triazine |
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![Y56 Y56](https://data.pdbj.org/pdbjplus/data/cc/svg/Y56.svg) | Y56 | Name: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide | Formula: | C34 H36 N8 O2 | SMILES: | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1 | InChi: | InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1 | Definition date: | 2021-10-12 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide |
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![61I 61I](https://data.pdbj.org/pdbjplus/data/cc/svg/61I.svg) | 61I | Name: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one | Formula: | C22 H21 Cl F N3 O2 | SMILES: | Clc1nccc2CC(Cc21)CN1CC(C1)CNC1=CC(=O)Oc2ccc(F)cc21 | InChi: | InChI=1S/C22H21ClFN3O2/c23-22-17-6-13(5-15(17)3-4-25-22)10-27-11-14(12-27)9-26-19-8-21(28)29-20-2-1-16(24)7-18(19)20/h1-4,7-8,13-14,26H,5-6,9-12H2 | Definition date: | 2023-04-19 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one |
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![6I0 6I0](https://data.pdbj.org/pdbjplus/data/cc/svg/6I0.svg) | 6I0 | Name: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one | Formula: | C22 H23 Cl N4 O4 | SMILES: | O=C1COc2ccc(nc2N1)N1CC(CCNCC2Cc3cccc(Cl)c3C2)OC1=O | InChi: | InChI=1S/C22H23ClN4O4/c23-17-3-1-2-14-8-13(9-16(14)17)10-24-7-6-15-11-27(22(29)31-15)19-5-4-18-21(25-19)26-20(28)12-30-18/h1-5,13,15,24H,6-12H2,(H,25,26,28) | Definition date: | 2023-04-19 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
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![JSO JSO](https://data.pdbj.org/pdbjplus/data/cc/svg/JSO.svg) | JSO | Name: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one | Formula: | C7 H7 N5 O | SMILES: | Cc1cnc2N=C(N)NC(=O)c2n1 | InChi: | InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13) | Definition date: | 2022-05-09 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one |
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![PKK PKK](https://data.pdbj.org/pdbjplus/data/cc/svg/PKK.svg) | PKK | Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Formula: | C17 H12 I2 O4 | SMILES: | CCc1oc2cc(O)ccc2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H12I2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3 | Definition date: | 2023-03-06 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone |
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![PKQ PKQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PKQ.svg) | PKQ | Name: | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Formula: | C17 H12 Br2 O4 | SMILES: | CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 | InChi: | InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3 | Definition date: | 2023-03-06 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone |
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![R2I R2I](https://data.pdbj.org/pdbjplus/data/cc/svg/R2I.svg) | R2I | Name: | 9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane | Formula: | C15 H14 F2 N2 O4 Ru2 | SMILES: | Fc1ccc(cc1)N2CN(c3ccc(F)cc3)[Ru]45OCO[Ru]24OCO5 | InChi: | InChI=1S/C13H10F2N2.2CH2O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13 | Definition date: | 2022-11-22 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
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![R2U R2U](https://data.pdbj.org/pdbjplus/data/cc/svg/R2U.svg) | R2U | Name: | Ru2-(OH)6 cluster | Formula: | H6 O6 Ru2 | SMILES: | O[Ru](O)(O)[Ru](O)(O)O | InChi: | InChI=1S/6H2O.2Ru/h6*1H2 | Definition date: | 2022-11-22 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 |
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![R3D R3D](https://data.pdbj.org/pdbjplus/data/cc/svg/R3D.svg) | R3D | Name: | Ru2-(OH)8 cluster | Formula: | H8 O8 Ru2 | SMILES: | O[Ru](O)(O)O.O[Ru](O)(O)O | InChi: | InChI=1S/8H2O.2Ru/h8*1H2 | Definition date: | 2022-11-22 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 |
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![IJP IJP](https://data.pdbj.org/pdbjplus/data/cc/svg/IJP.svg) | IJP | Name: | 3,5-dimethoxy-4-oxidanyl-benzoic acid | Formula: | C9 H10 O5 | SMILES: | COc1cc(cc(OC)c1O)C(O)=O | InChi: | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) | Synonyms: | Syringic acid | Definition date: | 2022-07-06 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 3,5-dimethoxy-4-oxidanyl-benzoic acid |
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![IJV IJV](https://data.pdbj.org/pdbjplus/data/cc/svg/IJV.svg) | IJV | Name: | 3,5-dimethoxy-4-oxidanyl-benzaldehyde | Formula: | C9 H10 O4 | SMILES: | COc1cc(C=O)cc(OC)c1O | InChi: | InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 | Synonyms: | Syringaldehyde | Definition date: | 2022-07-06 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 3,5-dimethoxy-4-oxidanyl-benzaldehyde |
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![TKX TKX](https://data.pdbj.org/pdbjplus/data/cc/svg/TKX.svg) | TKX | Name: | 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde | Formula: | C13 H8 Br Cl N2 O4 | SMILES: | O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(c1)[N+]([O-])=O | InChi: | InChI=1S/C13H8BrClN2O4/c14-9-4-13(11(6-18)16-5-9)21-7-8-1-2-10(15)12(3-8)17(19)20/h1-6H,7H2 | Definition date: | 2022-07-27 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde |
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![TNI TNI](https://data.pdbj.org/pdbjplus/data/cc/svg/TNI.svg) | TNI | Name: | 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde | Formula: | C13 H8 Br2 Cl N O2 | SMILES: | O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(Br)c1 | InChi: | InChI=1S/C13H8Br2ClNO2/c14-9-4-13(12(6-18)17-5-9)19-7-8-1-2-11(16)10(15)3-8/h1-6H,7H2 | Definition date: | 2022-07-27 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde |
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![TZ6 TZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/TZ6.svg) | TZ6 | Name: | 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane | Formula: | C17 H18 F2 N2 O4 Ru2 | SMILES: | CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5 | InChi: | InChI=1S/C13H10F2N2.2C2H4O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13 | Definition date: | 2023-01-18 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
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![U1J U1J](https://data.pdbj.org/pdbjplus/data/cc/svg/U1J.svg) | U1J | Name: | 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde | Formula: | C14 H11 Br N2 O4 | SMILES: | O=Cc1ncc(Br)cc1OCc1ccc(C)c(c1)[N+]([O-])=O | InChi: | InChI=1S/C14H11BrN2O4/c1-9-2-3-10(4-13(9)17(19)20)8-21-14-5-11(15)6-16-12(14)7-18/h2-7H,8H2,1H3 | Definition date: | 2022-08-02 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde |
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![U1R U1R](https://data.pdbj.org/pdbjplus/data/cc/svg/U1R.svg) | U1R | Name: | 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde | Formula: | C17 H12 Br N O2 | SMILES: | O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1 | InChi: | InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2 | Definition date: | 2022-08-02 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde |
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![U26 U26](https://data.pdbj.org/pdbjplus/data/cc/svg/U26.svg) | U26 | Name: | (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione | Formula: | C19 H14 F N3 O2 | SMILES: | Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1 | InChi: | InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2 | Definition date: | 2022-08-02 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione |
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![U2B U2B](https://data.pdbj.org/pdbjplus/data/cc/svg/U2B.svg) | U2B | Name: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | Formula: | C20 H15 N3 O2 | SMILES: | O=C1N(C(=O)NC21CCc1ccccc12)c1cncc2ccccc21 | InChi: | InChI=1S/C20H15N3O2/c24-18-20(10-9-13-5-2-4-8-16(13)20)22-19(25)23(18)17-12-21-11-14-6-1-3-7-15(14)17/h1-8,11-12H,9-10H2,(H,22,25)/t20-/m1/s1 | Definition date: | 2022-08-02 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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