![BQK BQK](https://data.pdbj.org/pdbjplus/data/cc/svg/BQK.svg) | BQK | Name: | (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C16 H18 N4 O4 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cc(O)cc(O)c3 | InChi: | InChI=1S/C16H18N4O4S/c1-8(21)13-14(9-4-10(22)6-11(23)5-9)25-16(19-13)20-15(24)12-7-17-2-3-18-12/h4-6,12,17-18,22-23H,2-3,7H2,1H3,(H,19,20,24)/t12-/m1/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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![BQQ BQQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BQQ.svg) | BQQ | Name: | (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C15 H18 N6 O2 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3 | InChi: | InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m0/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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![BQT BQT](https://data.pdbj.org/pdbjplus/data/cc/svg/BQT.svg) | BQT | Name: | (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide | Formula: | C10 H13 N3 O2 S | SMILES: | C[CH](N)C(=O)Nc1sc2CCCC(=O)c2n1 | InChi: | InChI=1S/C10H13N3O2S/c1-5(11)9(15)13-10-12-8-6(14)3-2-4-7(8)16-10/h5H,2-4,11H2,1H3,(H,12,13,15)/t5-/m1/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide |
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![BQW BQW](https://data.pdbj.org/pdbjplus/data/cc/svg/BQW.svg) | BQW | Name: | (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide | Formula: | C9 H17 N5 O2 S | SMILES: | C[CH](NC(N)=N)C(=O)N[CH]1N[CH](CS1)C(C)=O | InChi: | InChI=1S/C9H17N5O2S/c1-4(12-8(10)11)7(16)14-9-13-6(3-17-9)5(2)15/h4,6,9,13H,3H2,1-2H3,(H,14,16)(H4,10,11,12)/t4-,6?,9?/m1/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide |
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![BS8 BS8](https://data.pdbj.org/pdbjplus/data/cc/svg/BS8.svg) | BS8 | Name: | 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine | Formula: | C11 H8 F N5 | SMILES: | Nc1[nH]c2c(ccnc2n1)c3ccncc3F | InChi: | InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17) | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine |
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![BSW BSW](https://data.pdbj.org/pdbjplus/data/cc/svg/BSW.svg) | BSW | Name: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine | Formula: | C12 H8 F N3 | SMILES: | Fc1cnccc1c2ccnc3[nH]ccc23 | InChi: | InChI=1S/C12H8FN3/c13-11-7-14-4-1-9(11)8-2-5-15-12-10(8)3-6-16-12/h1-7H,(H,15,16) | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![BU5 BU5](https://data.pdbj.org/pdbjplus/data/cc/svg/BU5.svg) | BU5 | Name: | [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol | Formula: | C11 H9 N3 O S | SMILES: | OCc1csc(n1)c2ccnc3[nH]ccc23 | InChi: | InChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13) | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol |
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![BU8 BU8](https://data.pdbj.org/pdbjplus/data/cc/svg/BU8.svg) | BU8 | Name: | 1~{H}-imidazo[4,5-b]pyridin-2-amine | Formula: | C6 H6 N4 | SMILES: | Nc1[nH]c2cccnc2n1 | InChi: | InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10) | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 1~{H}-imidazo[4,5-b]pyridin-2-amine |
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![DN7 DN7](https://data.pdbj.org/pdbjplus/data/cc/svg/DN7.svg) | DN7 | Name: | 4-[(pyridin-2-yl)oxy]benzoic acid | Formula: | C12 H9 N O3 | SMILES: | c1cc(ccc1C(O)=O)Oc2ccccn2 | InChi: | InChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15) | Definition date: | 2017-10-31 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 4-[(pyridin-2-yl)oxy]benzoic acid |
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![E5H E5H](https://data.pdbj.org/pdbjplus/data/cc/svg/E5H.svg) | E5H | Name: | 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide | Formula: | C22 H28 N2 O2 | SMILES: | O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3 | InChi: | InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25) | Definition date: | 2018-02-20 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide |
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![E5K E5K](https://data.pdbj.org/pdbjplus/data/cc/svg/E5K.svg) | E5K | Name: | 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone | Formula: | C26 H35 N3 O3 | SMILES: | CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(OC)cc4 | InChi: | InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3 | Definition date: | 2018-02-20 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone |
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![EFK EFK](https://data.pdbj.org/pdbjplus/data/cc/svg/EFK.svg) | EFK | Name: | oxidanyl(oxidanylidene)molybdenum | Formula: | H Mo O2 | SMILES: | O[Mo]=O | InChi: | InChI=1S/Mo.H2O.O/h | Definition date: | 2018-03-16 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | oxidanyl(oxidanylidene)molybdenum |
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![F2J F2J](https://data.pdbj.org/pdbjplus/data/cc/svg/F2J.svg) | F2J | Name: | N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide | Formula: | C18 H20 N4 S | SMILES: | c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cccs4 | InChi: | InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21) | Definition date: | 2018-02-26 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide |
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![DJY DJY](https://data.pdbj.org/pdbjplus/data/cc/svg/DJY.svg) | DJY | Name: | 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid | Formula: | C28 H27 N5 O5 | SMILES: | COc1cc(c(cc1[C@H]=C)C(=O)Nc2ccc(C(=N)N)cc2)c4ccc(C(=O)NCC3CC3)nc4C(O)=O | InChi: | InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37) | Definition date: | 2017-10-30 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid |
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![FO7 FO7](https://data.pdbj.org/pdbjplus/data/cc/svg/FO7.svg) | FO7 | Name: | {2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol | Formula: | C14 H9 Br Cl F3 O4 S | SMILES: | Brc1c(CO)c(ccc1Oc2cc(Cl)cc(c2)F)S(=O)(=O)C(F)F | InChi: | InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2 | Definition date: | 2018-04-11 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | {2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol |
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![FOJ FOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FOJ.svg) | FOJ | Name: | 3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile | Formula: | C16 H8 F5 N O4 S | SMILES: | N#Cc1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c3C(F)F)O | InChi: | InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1 | Definition date: | 2018-04-11 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile |
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![FOV FOV](https://data.pdbj.org/pdbjplus/data/cc/svg/FOV.svg) | FOV | Name: | N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline | Formula: | C13 H7 Cl F4 N2 O4 S | SMILES: | O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(Cl)cc(c2)F)=O | InChi: | InChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H | Definition date: | 2018-04-11 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline |
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![G1E G1E](https://data.pdbj.org/pdbjplus/data/cc/svg/G1E.svg) | G1E | Name: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C15 H18 N6 O2 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3 | InChi: | InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m1/s1 | Definition date: | 2018-08-21 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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![G9Y G9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/G9Y.svg) | G9Y | Name: | 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | Formula: | C22 H23 N3 O3 | SMILES: | C(N1C(c4c(C(=C1)c2cc(ccc2)C(=O)N3CCOCC3)ccn4)=O)C/C=C | InChi: | InChI=1S/C22H23N3O3/c1-2-3-9-25-15-19(18-7-8-23-20(18)22(25)27)16-5-4-6-17(14-16)21(26)24-10-12-28-13-11-24/h2,4-8,14-15,23H,1,3,9-13H2 | Definition date: | 2018-05-17 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
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![GA5 GA5](https://data.pdbj.org/pdbjplus/data/cc/svg/GA5.svg) | GA5 | Name: | tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate | Formula: | C37 H49 N3 O8 S | SMILES: | O(C)c1ccc(cc1)S(=O)(N(CC(O)C(NC(c3ccc2C(O)CCC(c2c3)NC(=O)OC(C)(C)C)=O)Cc4ccccc4)CC(C)C)=O | InChi: | InChI=1S/C37H49N3O8S/c1-24(2)22-40(49(45,46)28-15-13-27(47-6)14-16-28)23-34(42)32(20-25-10-8-7-9-11-25)38-35(43)26-12-17-29-30(21-26)31(18-19-33(29)41)39-36(44)48-37(3,4)5/h7-17,21,24,31-34,41-42H,18-20,22-23H2,1-6H3,(H,38,43)(H,39,44)/t31-,32+,33+,34-/m1/s1 | Definition date: | 2018-06-25 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate |
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![GA8 GA8](https://data.pdbj.org/pdbjplus/data/cc/svg/GA8.svg) | GA8 | Name: | tert-butyl [(4S)-6-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamate | Formula: | C36 H47 N3 O7 S2 | SMILES: | COc1ccc(cc1)S(=O)(N(CC(O)C(NC(c3ccc2SCCC(c2c3)NC(=O)OC(C)(C)C)=O)Cc4ccccc4)CC(C)C)=O | InChi: | InChI=1S/C36H47N3O7S2/c1-24(2)22-39(48(43,44)28-15-13-27(45-6)14-16-28)23-32(40)31(20-25-10-8-7-9-11-25)37-34(41)26-12-17-33-29(21-26)30(18-19-47-33)38-35(42)46-36(3,4)5/h7-17,21,24,30-32,40H,18-20,22-23H2,1-6H3,(H,37,41)(H,38,42)/t30-,31-,32+/m0/s1 | Definition date: | 2018-06-25 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | tert-butyl [(4S)-6-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamate |
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![GKW GKW](https://data.pdbj.org/pdbjplus/data/cc/svg/GKW.svg) | GKW | Name: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide | Formula: | C17 H16 N2 O3 | SMILES: | COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 | InChi: | InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | Definition date: | 2018-09-25 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide |
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![GM5 GM5](https://data.pdbj.org/pdbjplus/data/cc/svg/GM5.svg) | GM5 | Name: | ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide | Formula: | C16 H14 N4 O2 S | SMILES: | ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2 | InChi: | InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21) | Definition date: | 2018-09-28 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide |
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![GOK GOK](https://data.pdbj.org/pdbjplus/data/cc/svg/GOK.svg) | GOK | Name: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide | Formula: | C21 H26 N6 O2 | SMILES: | Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14 | InChi: | InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) | Definition date: | 2018-10-01 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide |
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![GOW GOW](https://data.pdbj.org/pdbjplus/data/cc/svg/GOW.svg) | GOW | Name: | 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide | Formula: | C15 H14 N2 O3 | SMILES: | Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO | InChi: | InChI=1S/C15H14N2O3/c1-10-7-8-12(15(19)17-20)9-13(10)16-14(18)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,16,18)(H,17,19) | Definition date: | 2018-10-02 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide |
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