![0VL 0VL](https://data.pdbj.org/pdbjplus/data/cc/svg/0VL.svg) | 0VL | Name: | benzyl {2-[(5S)-5-hydroxy-4-oxo-6-{[2-(pyridin-4-yl)ethyl]carbamoyl}-4,5-dihydropyrimidin-2-yl]propan-2-yl}carbamate | Formula: | C23 H25 N5 O5 | SMILES: | OC1=C(N=C(NC1=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)NCCc1ccncc1 | InChi: | InChI=1S/C23H25N5O5/c1-23(2,28-22(32)33-14-16-6-4-3-5-7-16)21-26-17(18(29)20(31)27-21)19(30)25-13-10-15-8-11-24-12-9-15/h3-9,11-12,29H,10,13-14H2,1-2H3,(H,25,30)(H,28,32)(H,26,27,31) | Definition date: | 2021-06-17 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | benzyl [2-(5-hydroxy-6-oxo-4-{[2-(pyridin-4-yl)ethyl]carbamoyl}-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
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![MJN MJN](https://data.pdbj.org/pdbjplus/data/cc/svg/MJN.svg) | MJN | Name: | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | Formula: | C33 H35 N5 O4 | SMILES: | O=C(Cc1ccc2NC(=O)C=C(C)c2c1)N1CCC(CC(NC(=O)c2ccc(cn2)c2ccccc2)C(=O)NC)CC1 | InChi: | InChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1 | Definition date: | 2022-03-16 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide |
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![5YZ 5YZ](https://data.pdbj.org/pdbjplus/data/cc/svg/5YZ.svg) | 5YZ | Name: | 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide | Formula: | C26 H30 N8 O2 | SMILES: | Cc1cc(CN2CCN(CC2)c3nc(Nc4cc([nH]n4)C5CC5)cc(n3)C(=O)NCC#C)ccc1O | InChi: | InChI=1S/C26H30N8O2/c1-3-8-27-25(36)21-15-23(29-24-14-20(31-32-24)19-5-6-19)30-26(28-21)34-11-9-33(10-12-34)16-18-4-7-22(35)17(2)13-18/h1,4,7,13-15,19,35H,5-6,8-12,16H2,2H3,(H,27,36)(H2,28,29,30,31,32) | Definition date: | 2021-08-31 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide |
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![I0A I0A](https://data.pdbj.org/pdbjplus/data/cc/svg/I0A.svg) | I0A | Name: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane | Formula: | C30 H34 Cl N5 O5 S | SMILES: | CC[S](=O)(=O)n1cc2c3ccc(OCCCCCCOc4cc(Nc5ncc(Cl)c2n5)ccc4N6CCOCC6)cc13 | InChi: | InChI=1S/C30H34ClN5O5S/c1-2-42(37,38)36-20-24-23-9-8-22(18-27(23)36)40-13-5-3-4-6-14-41-28-17-21(33-30-32-19-25(31)29(24)34-30)7-10-26(28)35-11-15-39-16-12-35/h7-10,17-20H,2-6,11-16H2,1H3,(H,32,33,34) | Definition date: | 2022-05-27 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 |
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![N8R N8R](https://data.pdbj.org/pdbjplus/data/cc/svg/N8R.svg) | N8R | Name: | Dyclonine | Formula: | C18 H27 N O2 | SMILES: | CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 | InChi: | InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3 | Synonyms: | 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one | Definition date: | 2022-03-25 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one |
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![4J1 4J1](https://data.pdbj.org/pdbjplus/data/cc/svg/4J1.svg) | 4J1 | Name: | (2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C22 H33 N5 O8 | SMILES: | OC[CH]1O[CH](OCCCCc2cn(CCCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C22H33N5O8/c28-13-18-19(30)20(31)21(32)22(35-18)34-10-4-2-6-15-12-27(26-25-15)9-3-1-5-14-7-8-17(29)16(24-14)11-23-33/h7-8,11-12,18-22,28-33H,1-6,9-10,13H2/b23-11-/t18-,19-,20+,21-,22-/m1/s1 | Definition date: | 2021-07-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[4-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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![EJ3 EJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/EJ3.svg) | EJ3 | Name: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid | Formula: | C23 H19 F N4 O5 | SMILES: | COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c4)C(O)=O)c2c1)C(C)=O | InChi: | InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32) | Definition date: | 2022-04-20 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid |
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![64W 64W](https://data.pdbj.org/pdbjplus/data/cc/svg/64W.svg) | 64W | Name: | 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide | Formula: | C8 H11 N3 O3 S | SMILES: | O=S(N)(=O)c1ccc(NC(=O)NC)cc1 | InChi: | InChI=1S/C8H11N3O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,9,13,14)(H2,10,11,12) | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide |
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![65M 65M](https://data.pdbj.org/pdbjplus/data/cc/svg/65M.svg) | 65M | Name: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide | Formula: | C15 H17 N3 O3 S | SMILES: | O=S(N)(=O)c1cc(NC(=O)N(C)Cc2ccccc2)ccc1 | InChi: | InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21) | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide |
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![66I 66I](https://data.pdbj.org/pdbjplus/data/cc/svg/66I.svg) | 66I | Name: | {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name) | Formula: | C20 H23 F2 N7 O9 S | SMILES: | Oc1ccc(cc1)CC(N)C(=O)NS(=O)(=O)OCC1OC(n2nc(OC(F)F)c3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C20H23F2N7O9S/c21-20(22)38-18-12-15(24)25-7-26-16(12)29(27-18)19-14(32)13(31)11(37-19)6-36-39(34,35)28-17(33)10(23)5-8-1-3-9(30)4-2-8/h1-4,7,10-11,13-14,19-20,30-32H,5-6,23H2,(H,28,33)(H2,24,25,26)/t10-,11+,13+,14+,19+/m0/s1 | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name) |
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![69X 69X](https://data.pdbj.org/pdbjplus/data/cc/svg/69X.svg) | 69X | Name: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine | Formula: | C19 H23 N6 O9 P | SMILES: | Oc1ccc(cc1)CC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1 | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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![7IT 7IT](https://data.pdbj.org/pdbjplus/data/cc/svg/7IT.svg) | 7IT | Name: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Formula: | C25 H32 Cl F N6 O4 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC | InChi: | InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16+,19-,22-/m0/s1 | Definition date: | 2021-08-12 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide |
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![7IW 7IW](https://data.pdbj.org/pdbjplus/data/cc/svg/7IW.svg) | 7IW | Name: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Formula: | C25 H32 Cl F N6 O4 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC | InChi: | InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16-,19+,22+/m1/s1 | Definition date: | 2021-08-12 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide |
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![09Y 09Y](https://data.pdbj.org/pdbjplus/data/cc/svg/09Y.svg) | 09Y | Name: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide | Formula: | C20 H20 N4 O4 | SMILES: | OC1=C(N=C(NC1=O)c1ccccc1C)C(=O)NCCc1ccnc(OC)c1 | InChi: | InChI=1S/C20H20N4O4/c1-12-5-3-4-6-14(12)18-23-16(17(25)20(27)24-18)19(26)22-10-8-13-7-9-21-15(11-13)28-2/h3-7,9,11,25H,8,10H2,1-2H3,(H,22,26)(H,23,24,27) | Definition date: | 2021-06-07 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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![0AW 0AW](https://data.pdbj.org/pdbjplus/data/cc/svg/0AW.svg) | 0AW | Name: | ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide | Formula: | C21 H19 N3 O2 S | SMILES: | NC(=N)c1sc(CNC(=O)c2ccc3OCCc3c2)c(c1)c4ccccc4 | InChi: | InChI=1S/C21H19N3O2S/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-24-21(25)15-6-7-17-14(10-15)8-9-26-17/h1-7,10-11H,8-9,12H2,(H3,22,23)(H,24,25) | Definition date: | 2021-06-03 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide |
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![7OW 7OW](https://data.pdbj.org/pdbjplus/data/cc/svg/7OW.svg) | 7OW | Name: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one | Formula: | C22 H24 F3 N3 O3 | SMILES: | CN1C=C(C=C(C)C1=O)c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2 | InChi: | InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3 | Definition date: | 2022-02-22 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one |
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![7SR 7SR](https://data.pdbj.org/pdbjplus/data/cc/svg/7SR.svg) | 7SR | Name: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide | Formula: | C30 H33 Br N4 O3 | SMILES: | CC[CH](C)[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5 | InChi: | InChI=1S/C30H33BrN4O3/c1-3-20(2)28-29(37)33(18-23-9-6-8-22-7-4-5-10-25(22)23)19-26-34(16-15-27(36)35(26)28)30(38)32-17-21-11-13-24(31)14-12-21/h4-14,20,26,28H,3,15-19H2,1-2H3,(H,32,38)/t20-,26+,28-/m0/s1 | Definition date: | 2021-10-21 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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![7U0 7U0](https://data.pdbj.org/pdbjplus/data/cc/svg/7U0.svg) | 7U0 | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | Formula: | C39 H44 N8 O5 | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCCC3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7ccccc7n5 | InChi: | InChI=1S/C39H44N8O5/c40-13-20-50-27-23-32(38(48)44-36-25-34(28-9-1-3-11-30(28)42-36)51-21-18-46-14-5-6-15-46)41-33(24-27)39(49)45-37-26-35(29-10-2-4-12-31(29)43-37)52-22-19-47-16-7-8-17-47/h1-4,9-12,23-26H,5-8,13-22,40H2,(H,42,44,48)(H,43,45,49) | Definition date: | 2022-03-01 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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![7V8 7V8](https://data.pdbj.org/pdbjplus/data/cc/svg/7V8.svg) | 7V8 | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | Formula: | C31 H32 N8 O5 | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n2)C(=O)Nc4cc(OCCN)c5ccccc5n4 | InChi: | InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41) | Synonyms: | Pyridostatin | Definition date: | 2022-03-01 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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![7VH 7VH](https://data.pdbj.org/pdbjplus/data/cc/svg/7VH.svg) | 7VH | Name: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine | Formula: | C31 H37 Cl2 N7 O3 S | SMILES: | CC[S](=O)(=O)n1cc(c2ccccc12)c3nc(Nc4cc(Cl)c(cc4OC)N5CCC(CC5)N6CCN(C)CC6)ncc3Cl | InChi: | InChI=1S/C31H37Cl2N7O3S/c1-4-44(41,42)40-20-23(22-7-5-6-8-27(22)40)30-25(33)19-34-31(36-30)35-26-17-24(32)28(18-29(26)43-3)39-11-9-21(10-12-39)38-15-13-37(2)14-16-38/h5-8,17-21H,4,9-16H2,1-3H3,(H,34,35,36) | Definition date: | 2021-10-27 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-chloranyl-~{N}-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine |
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![82L 82L](https://data.pdbj.org/pdbjplus/data/cc/svg/82L.svg) | 82L | Name: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid | Formula: | C32 H32 F2 N6 O3 | SMILES: | Fc1ccc(COc2cccc(n2)C2CCN(Cc3nc4ccc(cc4n3Cc3cncn3CC)C(=O)O)CC2)c(F)c1 | InChi: | InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42) | Definition date: | 2021-09-03 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid |
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![O7T O7T](https://data.pdbj.org/pdbjplus/data/cc/svg/O7T.svg) | O7T | Name: | deltarasin | Formula: | C40 H37 N5 O | SMILES: | C1CC(CCN1)[CH](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7nc6c8ccccc8 | InChi: | InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1 | Synonyms: | 2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole | Definition date: | 2020-02-18 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole |
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![O7W O7W](https://data.pdbj.org/pdbjplus/data/cc/svg/O7W.svg) | O7W | Name: | ~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide | Formula: | C25 H28 N4 O2 | SMILES: | CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1 | InChi: | InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3 | Definition date: | 2020-02-18 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | ~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide |
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![QY2 QY2](https://data.pdbj.org/pdbjplus/data/cc/svg/QY2.svg) | QY2 | Name: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one | Formula: | C14 H13 N3 O2 S | SMILES: | CON=C1NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2 | InChi: | InChI=1S/C14H13N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-7,20H,8H2,1H3,(H,16,17,18) | Definition date: | 2020-08-20 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one |
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![VDH VDH](https://data.pdbj.org/pdbjplus/data/cc/svg/VDH.svg) | VDH | Name: | N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Formula: | C20 H22 N6 O3 | SMILES: | CCN1Cc2cc(NC(=O)C3=C(C)N4NC(=O)C=C4N=C3)ccc2NCCC1=O | InChi: | InChI=1S/C20H22N6O3/c1-3-25-11-13-8-14(4-5-16(13)21-7-6-19(25)28)23-20(29)15-10-22-17-9-18(27)24-26(17)12(15)2/h4-5,8-10,21H,3,6-7,11H2,1-2H3,(H,23,29)(H,24,27) | Synonyms: | N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Definition date: | 2021-05-06 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | ~{N}-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
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