![NK5 NK5](https://data.pdbj.org/pdbjplus/data/cc/svg/NK5.svg) | NK5 | Name: | ~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide | Formula: | C9 H8 N4 O2 | SMILES: | ONC(=O)c1cn(nn1)c2ccccc2 | InChi: | InChI=1S/C9H8N4O2/c14-9(11-15)8-6-13(12-10-8)7-4-2-1-3-5-7/h1-6,15H,(H,11,14) | Definition date: | 2019-12-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | ~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide |
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![N64 N64](https://data.pdbj.org/pdbjplus/data/cc/svg/N64.svg) | N64 | Name: | N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea | Formula: | C18 H25 N5 O2 | SMILES: | N(CCCN2CCN(c1ccccc1)CC2)C(Nc3cc(C)on3)=O | InChi: | InChI=1S/C18H25N5O2/c1-15-14-17(21-25-15)20-18(24)19-8-5-9-22-10-12-23(13-11-22)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H2,19,20,21,24) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea |
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![N67 N67](https://data.pdbj.org/pdbjplus/data/cc/svg/N67.svg) | N67 | Name: | N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide | Formula: | C11 H14 N4 O4 S2 | SMILES: | N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O | InChi: | InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide |
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![N6D N6D](https://data.pdbj.org/pdbjplus/data/cc/svg/N6D.svg) | N6D | Name: | N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea | Formula: | C13 H15 N3 O3 | SMILES: | N(C(Nc1cccc(COC)c1)=O)c2cc(C)on2 | InChi: | InChI=1S/C13H15N3O3/c1-9-6-12(16-19-9)15-13(17)14-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H2,14,15,16,17) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea |
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![N6J N6J](https://data.pdbj.org/pdbjplus/data/cc/svg/N6J.svg) | N6J | Name: | N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea | Formula: | C16 H15 N7 O2 | SMILES: | N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on4)=O | InChi: | InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea |
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![N6V N6V](https://data.pdbj.org/pdbjplus/data/cc/svg/N6V.svg) | N6V | Name: | N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea | Formula: | C19 H25 N5 O2 | SMILES: | n1(CCN(CC)CC)ccc2c1ccc(c2)NC(Nc3cc(C)on3)=O | InChi: | InChI=1S/C19H25N5O2/c1-4-23(5-2)10-11-24-9-8-15-13-16(6-7-17(15)24)20-19(25)21-18-12-14(3)26-22-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,20,21,22,25) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea |
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![N71 N71](https://data.pdbj.org/pdbjplus/data/cc/svg/N71.svg) | N71 | Name: | N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea | Formula: | C13 H15 N3 O4 S | SMILES: | N(CCS(c1ccccc1)(=O)=O)C(Nc2cc(C)on2)=O | InChi: | InChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)14-7-8-21(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea |
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![N74 N74](https://data.pdbj.org/pdbjplus/data/cc/svg/N74.svg) | N74 | Name: | N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea | Formula: | C15 H15 N5 O2 | SMILES: | N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O | InChi: | InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea |
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![H2H H2H](https://data.pdbj.org/pdbjplus/data/cc/svg/H2H.svg) | H2H | Name: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide | Formula: | C19 H22 F N3 O6 S | SMILES: | COc1ccc(c(F)c1)c2cn3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2 | InChi: | InChI=1S/C19H22FN3O6S/c1-19(17(24)21-26,30(3,27)28)6-7-22-11-13-8-12(10-23(13)18(22)25)15-5-4-14(29-2)9-16(15)20/h4-5,8-10,26H,6-7,11H2,1-3H3,(H,21,24)/t19-/m1/s1 | Definition date: | 2018-11-09 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
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![H2N H2N](https://data.pdbj.org/pdbjplus/data/cc/svg/H2N.svg) | H2N | Name: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide | Formula: | C16 H19 F N2 O7 S | SMILES: | COc1ccc(c(F)c1)C2=CN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2 | InChi: | InChI=1S/C16H19FN2O7S/c1-16(14(20)18-22,27(3,23)24)6-7-19-9-13(26-15(19)21)11-5-4-10(25-2)8-12(11)17/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1 | Definition date: | 2018-11-09 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
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![NO5 NO5](https://data.pdbj.org/pdbjplus/data/cc/svg/NO5.svg) | NO5 | Name: | (2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid | Formula: | C5 H12 N2 O4 S | SMILES: | CC(C)[CH](N[S](N)(=O)=O)C(O)=O | InChi: | InChI=1S/C5H12N2O4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)(H2,6,10,11)/t4-/m0/s1 | Definition date: | 2019-12-09 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | (2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid |
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![H2Q H2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/H2Q.svg) | H2Q | Name: | (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide | Formula: | C20 H23 N3 O6 S | SMILES: | C[C](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CO)CC3)(C(=O)NO)[S](C)(=O)=O | InChi: | InChI=1S/C20H23N3O6S/c1-19(17(25)21-27,30(2,28)29)9-10-22-13-16-11-15(12-23(16)18(22)26)5-3-4-6-20(14-24)7-8-20/h11-12,24,27H,7-10,13-14H2,1-2H3,(H,21,25)/t19-/m1/s1 | Definition date: | 2018-11-09 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
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![T0A T0A](https://data.pdbj.org/pdbjplus/data/cc/svg/T0A.svg) | T0A | Name: | 5-deazatetrahydropterin | Formula: | C7 H10 N4 O | SMILES: | NC1=NC2=C(CCCN2)C(=O)N1 | InChi: | InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12) | Definition date: | 2018-12-08 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 2-azanyl-5,6,7,8-tetrahydro-3~{H}-pyrido[2,3-d]pyrimidin-4-one |
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![UNY UNY](https://data.pdbj.org/pdbjplus/data/cc/svg/UNY.svg) | UNY | Name: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide | Formula: | C21 H23 F N2 O6 S | SMILES: | COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2 | InChi: | InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m1/s1 | Definition date: | 2018-11-09 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
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![UNZ UNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/UNZ.svg) | UNZ | Name: | (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide | Formula: | C21 H23 F N2 O6 S | SMILES: | COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2 | InChi: | InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m0/s1 | Definition date: | 2018-11-12 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
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![NQ1 NQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ1.svg) | NQ1 | Name: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | Formula: | C20 H15 F N2 O | SMILES: | c32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O | InChi: | InChI=1S/C20H15FN2O/c21-15-10-11-18-19(12-15)23(13-14-6-2-1-3-7-14)20(24)16-8-4-5-9-17(16)22-18/h1-12,22H,13H2 | Definition date: | 2019-05-23 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
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![O57 O57](https://data.pdbj.org/pdbjplus/data/cc/svg/O57.svg) | O57 | Name: | 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | Formula: | C20 H15 F N2 O | SMILES: | c1ccc(cc1)CN4C(c2cc(ccc2Nc3ccccc34)F)=O | InChi: | InChI=1S/C20H15FN2O/c21-15-10-11-17-16(12-15)20(24)23(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)22-17/h1-12,22H,13H2 | Definition date: | 2019-06-11 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
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![KJG KJG](https://data.pdbj.org/pdbjplus/data/cc/svg/KJG.svg) | KJG | Name: | 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione | Formula: | C18 H12 O4 | SMILES: | O=C1C(=C(O)C(=O)C(=C1O)c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H | Definition date: | 2018-12-14 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione |
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![OP4 OP4](https://data.pdbj.org/pdbjplus/data/cc/svg/OP4.svg) | OP4 | Name: | 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide | Formula: | C32 H47 F N6 O4 S | SMILES: | Fc1ccc(c(c1)C(=O)N(C(C)C)C(C)C)Oc5c(N2CC3(C2)CCN(CC3)CC4CCC(CC4)NS(=O)(C)=O)ncnc5 | InChi: | InChI=1S/C32H47FN6O4S/c1-22(2)39(23(3)4)31(40)27-16-25(33)8-11-28(27)43-29-17-34-21-35-30(29)38-19-32(20-38)12-14-37(15-13-32)18-24-6-9-26(10-7-24)36-44(5,41)42/h8,11,16-17,21-24,26,36H,6-7,9-10,12-15,18-20H2,1-5H3/t24-,26- | Definition date: | 2019-07-02 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide |
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![PX7 PX7](https://data.pdbj.org/pdbjplus/data/cc/svg/PX7.svg) | PX7 | Name: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione | Formula: | C8 H8 N2 O3 S | SMILES: | N2S(c1ccccc1N(C2=O)C)(=O)=O | InChi: | InChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11) | Definition date: | 2019-08-28 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
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![LHW LHW](https://data.pdbj.org/pdbjplus/data/cc/svg/LHW.svg) | LHW | Name: | MO(10)-O(35) Cluster | Formula: | H16 Mo10 O35 | SMILES: | O[Mo]123[O+]4[Mo]56(O)(O)O[Mo]47(O)(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O[Mo]%11%12(O)(O)O[Mo](O)(O)(O5)(O[Mo]%13%14(O)(O6)O[Mo]%15(O)(O7)(O8)O[Mo](O)(O%11)(O%10)(O%13)[O++]1%14%15)[O+]2%12)[O+]39 | InChi: | InChI=1S/10Mo.16H2O.19O/h | Definition date: | 2019-08-19 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 |
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![LJB LJB](https://data.pdbj.org/pdbjplus/data/cc/svg/LJB.svg) | LJB | Name: | MO(8)-O(26) Cluster | Formula: | H15 Mo8 O26 | SMILES: | O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O[Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+]79)[O++]168)[O+]2%10 | InChi: | InChI=1S/8Mo.15H2O.11O/h | Definition date: | 2019-08-20 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 |
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![Q5J Q5J](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5J.svg) | Q5J | Name: | 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide | Formula: | C17 H16 N4 O2 S | SMILES: | c1c(c3c(c(c1)NS(=O)(=O)c2ccc(cc2)CN)ncc3C#N)C | InChi: | InChI=1S/C17H16N4O2S/c1-11-2-7-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-5-3-12(8-18)4-6-14/h2-7,10,20-21H,8,18H2,1H3 | Definition date: | 2019-09-23 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide |
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![KWE KWE](https://data.pdbj.org/pdbjplus/data/cc/svg/KWE.svg) | KWE | Name: | 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione | Formula: | C28 H28 N2 O2 | SMILES: | O=C1N(Cc2ccccc2)C(=O)C(=C1Cc3ccccc3)NCCCCc4ccccc4 | InChi: | InChI=1S/C28H28N2O2/c31-27-25(20-23-15-6-2-7-16-23)26(28(32)30(27)21-24-17-8-3-9-18-24)29-19-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18,29H,10-11,14,19-21H2 | Definition date: | 2019-07-02 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione |
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![Q5V Q5V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5V.svg) | Q5V | Name: | N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine | Formula: | C27 H24 F3 N3 O8 S2 | SMILES: | c1c(ccc(c1)OC)S(=O)(=O)N(CC(O)=O)c3ncc(N(S(=O)(c2ccc(OC)cc2)=O)CC(F)(F)F)c4c3cccc4 | InChi: | InChI=1S/C27H24F3N3O8S2/c1-40-18-7-11-20(12-8-18)42(36,37)32(16-25(34)35)26-23-6-4-3-5-22(23)24(15-31-26)33(17-27(28,29)30)43(38,39)21-13-9-19(41-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,34,35) | Definition date: | 2019-09-24 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine |
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