![5IK 5IK](https://data.pdbj.org/pdbjplus/data/cc/svg/5IK.svg) | 5IK | Name: | 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one | Formula: | C26 H25 N O4 | SMILES: | CN(Cc1ccccc1)Cc2ccc(COc3ccc4C(=CC(=O)Oc4c3)CO)cc2 | InChi: | InChI=1S/C26H25NO4/c1-27(15-19-5-3-2-4-6-19)16-20-7-9-21(10-8-20)18-30-23-11-12-24-22(17-28)13-26(29)31-25(24)14-23/h2-14,28H,15-18H2,1H3 | Definition date: | 2021-07-12 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one |
|
![C97 C97](https://data.pdbj.org/pdbjplus/data/cc/svg/C97.svg) | C97 | Name: | N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | Formula: | C15 H19 N3 O4 S | SMILES: | NS(=O)(=O)c1ccc(CCN(Cc2ccco2)C(=O)CN)cc1 | InChi: | InChI=1S/C15H19N3O4S/c16-10-15(19)18(11-13-2-1-9-22-13)8-7-12-3-5-14(6-4-12)23(17,20)21/h1-6,9H,7-8,10-11,16H2,(H2,17,20,21) | Definition date: | 2021-11-19 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide |
|
![C9W C9W](https://data.pdbj.org/pdbjplus/data/cc/svg/C9W.svg) | C9W | Name: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide | Formula: | C21 H23 F N4 O5 S | SMILES: | N#CC1(C)CN(C1)C(=O)c1cc([NH]c1C)S(=O)(=O)NC1COc2cc(F)c(C)cc2C1O | InChi: | InChI=1S/C21H23FN4O5S/c1-11-4-14-17(6-15(11)22)31-7-16(19(14)27)25-32(29,30)18-5-13(12(2)24-18)20(28)26-9-21(3,8-23)10-26/h4-6,16,19,24-25,27H,7,9-10H2,1-3H3/t16-,19+/m1/s1 | Definition date: | 2021-11-19 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide |
|
![7XB 7XB](https://data.pdbj.org/pdbjplus/data/cc/svg/7XB.svg) | 7XB | Name: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide | Formula: | C21 H18 F5 N5 O4 | SMILES: | CNC(=O)CN1C(=O)N=C(Nc2ccc(OC(F)F)cc2C)N(Cc3cc(F)c(F)c(F)c3)C1=O | InChi: | InChI=1S/C21H18F5N5O4/c1-10-5-12(35-18(25)26)3-4-15(10)28-19-29-20(33)31(9-16(32)27-2)21(34)30(19)8-11-6-13(22)17(24)14(23)7-11/h3-7,18H,8-9H2,1-2H3,(H,27,32)(H,28,29,33) | Definition date: | 2021-11-01 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-~{N}-methyl-ethanamide |
|
![GE7 GE7](https://data.pdbj.org/pdbjplus/data/cc/svg/GE7.svg) | GE7 | Name: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid | Formula: | C23 H25 N O3 | SMILES: | O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c1ccc(C)cc1 | InChi: | InChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26)/t21-/m0/s1 | Definition date: | 2021-12-20 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid |
|
![GEI GEI](https://data.pdbj.org/pdbjplus/data/cc/svg/GEI.svg) | GEI | Name: | (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid | Formula: | C34 H43 F N2 O4 | SMILES: | Fc1ccc(cc1)CCOc1ccc(cc1)c1c(c(c(C)nc1C)C(OC(C)(C)C)C(=O)O)N1CCC(C)(C)CC1 | InChi: | InChI=1S/C34H43FN2O4/c1-22-28(25-10-14-27(15-11-25)40-21-16-24-8-12-26(35)13-9-24)30(37-19-17-34(6,7)18-20-37)29(23(2)36-22)31(32(38)39)41-33(3,4)5/h8-15,31H,16-21H2,1-7H3,(H,38,39)/t31-/m0/s1 | Definition date: | 2021-12-20 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid |
|
![909 909](https://data.pdbj.org/pdbjplus/data/cc/svg/909.svg) | 909 | Name: | N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide | Formula: | C27 H30 N6 O2 | SMILES: | CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(C)=O)c4c5ccc(NC(C)=O)cc5 | InChi: | InChI=1S/C27H30N6O2/c1-16-24(17(2)34)25(19-5-7-20(8-6-19)29-18(3)35)26(28-16)27-30-22-10-9-21(15-23(22)31-27)33-13-11-32(4)12-14-33/h5-10,15,28H,11-14H2,1-4H3,(H,29,35)(H,30,31) | Definition date: | 2021-04-06 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | ~{N}-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-1~{H}-pyrrol-3-yl]phenyl]ethanamide |
|
![0K8 0K8](https://data.pdbj.org/pdbjplus/data/cc/svg/0K8.svg) | 0K8 | Name: | Ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione | Formula: | C50 H28 N8 O2 Ru | SMILES: | [Ru++].O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccnc6c7ncccc7c5nc34.c8cnc9c(c8)ccc%10cccnc9%10.c%11cnc%12c(c%11)ccc%13cccnc%12%13 | InChi: | InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20 | Synonyms: | Ruthenium polypridyl complex | Definition date: | 2021-06-07 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 |
|
![BQ6 BQ6](https://data.pdbj.org/pdbjplus/data/cc/svg/BQ6.svg) | BQ6 | Name: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide | Formula: | C21 H23 F N4 O4 S | SMILES: | N#CC1(C)CN(C1)C(=O)c1cc([NH]c1C)S(=O)(=O)NC1Cc2cc(C)c(F)cc2OC1 | InChi: | InChI=1S/C21H23FN4O4S/c1-12-4-14-5-15(8-30-18(14)7-17(12)22)25-31(28,29)19-6-16(13(2)24-19)20(27)26-10-21(3,9-23)11-26/h4,6-7,15,24-25H,5,8,10-11H2,1-3H3/t15-/m0/s1 | Definition date: | 2021-11-18 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide |
|
![BW3 BW3](https://data.pdbj.org/pdbjplus/data/cc/svg/BW3.svg) | BW3 | Name: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C8 H16 O6 | SMILES: | CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1 | Synonyms: | Ethyl alpha-D-glucopyranoside | Definition date: | 2022-03-29 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|
![I0O I0O](https://data.pdbj.org/pdbjplus/data/cc/svg/I0O.svg) | I0O | Name: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose | Formula: | C50 H84 N O7 P | SMILES: | OP(=O)(OC1OCC(N)C(O)C1O)OCC=C(/C)CCC=C(/C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C | InChi: | InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1 | Definition date: | 2022-01-04 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose |
|
![I1T I1T](https://data.pdbj.org/pdbjplus/data/cc/svg/I1T.svg) | I1T | Name: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid | Formula: | C15 H21 N2 O8 P | SMILES: | O=P(O)(O)OCc1c[nH+]c(C)c([O-])c1C[NH2+]C1CC(CC1C=O)C([O-])=O | InChi: | InChI=1S/C15H21N2O8P/c1-8-14(19)12(11(4-16-8)7-25-26(22,23)24)5-17-13-3-9(15(20)21)2-10(13)6-18/h4,6,9-10,13,17,19H,2-3,5,7H2,1H3,(H,20,21)(H2,22,23,24)/t9-,10-,13-/m0/s1 | Definition date: | 2022-01-06 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (1S,3R,4S)-3-formyl-4-[({2-methyl-3-oxido-5-[(phosphonooxy)methyl]pyridin-1-ium-4-yl}methyl)azaniumyl]cyclopentane-1-carboxylate |
|
![I2V I2V](https://data.pdbj.org/pdbjplus/data/cc/svg/I2V.svg) | I2V | Name: | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid | Formula: | C7 H12 F N O2 | SMILES: | FCC1CC(CC1N)C(=O)O | InChi: | InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1 | Definition date: | 2022-01-07 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid |
|
![1L3 1L3](https://data.pdbj.org/pdbjplus/data/cc/svg/1L3.svg) | 1L3 | Name: | Menaquinone-4 | Formula: | C31 H40 O2 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O | InChi: | InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+ | Synonyms: | vitamin K2 | Definition date: | 2021-07-02 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione |
|
![966 966](https://data.pdbj.org/pdbjplus/data/cc/svg/966.svg) | 966 | Name: | [(1S,2R,3R,4R,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate | Formula: | C35 H49 N O9 | SMILES: | CCN1C[C]2(CC[CH](OC)[C]34[CH]5C[C]6(O)[CH](C[C](OC(C)=O)([CH]([CH](OC)[CH]23)[CH]14)[CH]5[CH]6C(=O)c7ccc(OC)cc7)OC)COC | InChi: | InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26-,27+,29-,30-,31-,32+,33+,34-,35+/m1/s1 | Synonyms: | Bulleyaconitine A | Definition date: | 2022-01-06 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 |
|
![J3U J3U](https://data.pdbj.org/pdbjplus/data/cc/svg/J3U.svg) | J3U | Name: | (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid | Formula: | C16 H20 O4 | SMILES: | O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C | InChi: | InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1 | Definition date: | 2021-04-01 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (6~{S},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid |
|
![J46 J46](https://data.pdbj.org/pdbjplus/data/cc/svg/J46.svg) | J46 | Name: | 4-bromanyl-N-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide | Formula: | C20 H16 Br2 N2 O3 S | SMILES: | Brc1ccc(NC(=O)c2ccc(Br)c(c2)[S](=O)(=O)NCc3ccccc3)cc1 | InChi: | InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25) | Definition date: | 2021-04-05 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 4-bromanyl-~{N}-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide |
|
![J4R J4R](https://data.pdbj.org/pdbjplus/data/cc/svg/J4R.svg) | J4R | Name: | 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone | Formula: | C23 H27 N7 O | SMILES: | CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(C)=O)c4c5cnn(C)c5 | InChi: | InChI=1S/C23H27N7O/c1-14-20(15(2)31)21(16-12-24-29(4)13-16)22(25-14)23-26-18-6-5-17(11-19(18)27-23)30-9-7-28(3)8-10-30/h5-6,11-13,25H,7-10H2,1-4H3,(H,26,27) | Definition date: | 2021-04-06 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
|
![06D 06D](https://data.pdbj.org/pdbjplus/data/cc/svg/06D.svg) | 06D | Name: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one | Formula: | C14 H19 N O2 | SMILES: | CCC(=O)N1CCC[CH]1c2ccc(OC)cc2 | InChi: | InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1 | Definition date: | 2021-06-03 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one |
|
![8DE 8DE](https://data.pdbj.org/pdbjplus/data/cc/svg/8DE.svg) | 8DE | Name: | 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide | Formula: | C23 H19 N3 O3 S2 | SMILES: | O=C(Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2)C(c3ccccc3)c4ccccc4 | InChi: | InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27) | Definition date: | 2021-12-08 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide |
|
![2IX 2IX](https://data.pdbj.org/pdbjplus/data/cc/svg/2IX.svg) | 2IX | Name: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide | Formula: | C28 H37 F2 N11 O4 | SMILES: | C=CC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 | InChi: | InChI=1S/C28H37F2N11O4/c1-3-20(42)38-6-4-18(5-7-38)25(44)37(2)17-21(43)39-8-10-40(11-9-39)27-34-24(19-16-32-26(31)33-22(19)23(29)30)35-28(36-27)41-12-14-45-15-13-41/h3,16,18,23H,1,4-15,17H2,2H3,(H2,31,32,33) | Definition date: | 2021-06-30 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide |
|
![2Q7 2Q7](https://data.pdbj.org/pdbjplus/data/cc/svg/2Q7.svg) | 2Q7 | Name: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide | Formula: | C27 H35 F2 N11 O4 | SMILES: | C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 | InChi: | InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33) | Definition date: | 2021-06-30 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide |
|
![L8C L8C](https://data.pdbj.org/pdbjplus/data/cc/svg/L8C.svg) | L8C | Name: | N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide | Formula: | C13 H19 N3 O2 | SMILES: | ONC(=O)c1ccc(cc1)CN1CCN(C)CC1 | InChi: | InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17) | Definition date: | 2022-02-28 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
|
![J9O J9O](https://data.pdbj.org/pdbjplus/data/cc/svg/J9O.svg) | J9O | Name: | 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one | Formula: | C30 H31 Cl N4 O4 | SMILES: | CCOc1ccccc1N2C(=O)c3ccccc3N=C2[CH](C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5 | InChi: | InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3/t21-/m0/s1 | Definition date: | 2021-04-30 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 2-[(1~{S})-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one |
|
![LS6 LS6](https://data.pdbj.org/pdbjplus/data/cc/svg/LS6.svg) | LS6 | Name: | (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide | Formula: | C16 H22 N2 O2 | SMILES: | ONC(=O)/C=C/C1CCN(CCc2ccccc2)CC1 | InChi: | InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19) | Definition date: | 2022-03-04 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide |
|