![I9F I9F](https://data.pdbj.org/pdbjplus/data/cc/svg/I9F.svg) | I9F | Name: | dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate | Formula: | C26 H26 N2 O11 S | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)OC)C(=O)OC | InChi: | InChI=1S/C26H26N2O11S/c1-38-22(31)14-26(35,25(34)39-2)13-21(30)27-7-9-28(10-8-27)40(36,37)20-12-18-17(11-19(20)29)23(32)15-5-3-4-6-16(15)24(18)33/h3-6,11-12,29,35H,7-10,13-14H2,1-2H3/t26-/m1/s1 | Definition date: | 2022-01-24 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate |
|
![I9K I9K](https://data.pdbj.org/pdbjplus/data/cc/svg/I9K.svg) | I9K | Name: | (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid | Formula: | C24 H22 N2 O11 S | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)O)C(=O)O | InChi: | InChI=1S/C24H22N2O11S/c27-17-9-15-16(22(32)14-4-2-1-3-13(14)21(15)31)10-18(17)38(36,37)26-7-5-25(6-8-26)19(28)11-24(35,23(33)34)12-20(29)30/h1-4,9-10,27,35H,5-8,11-12H2,(H,29,30)(H,33,34)/t24-/m1/s1 | Definition date: | 2022-01-24 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid |
|
![I9N I9N](https://data.pdbj.org/pdbjplus/data/cc/svg/I9N.svg) | I9N | Name: | 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione | Formula: | C18 H16 N2 O6 S | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCNCC1 | InChi: | InChI=1S/C18H16N2O6S/c21-15-10-3-1-2-4-11(10)16(22)14-12(15)9-13(17(23)18(14)24)27(25,26)20-7-5-19-6-8-20/h1-4,9,19,23-24H,5-8H2 | Definition date: | 2022-01-24 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione |
|
![I9Q I9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/I9Q.svg) | I9Q | Name: | N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine | Formula: | C17 H13 N O8 S | SMILES: | O=C(O)CCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | InChi: | InChI=1S/C17H13NO8S/c19-12(20)5-6-18-27(25,26)11-7-10-13(17(24)16(11)23)15(22)9-4-2-1-3-8(9)14(10)21/h1-4,7,18,23-24H,5-6H2,(H,19,20) | Definition date: | 2022-01-24 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine |
|
![GEU GEU](https://data.pdbj.org/pdbjplus/data/cc/svg/GEU.svg) | GEU | Name: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione | Formula: | C22 H19 Cl N4 O4 | SMILES: | CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4cccc(Cl)c4)C | InChi: | InChI=1S/C22H19ClN4O4/c1-11-15(19(28)18-12(2)24-26(4)20(18)29)8-9-16-17(11)21(30)27(22(31)25(16)3)14-7-5-6-13(23)10-14/h5-10,24H,1-4H3 | Definition date: | 2020-08-26 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione |
|
![GJL GJL](https://data.pdbj.org/pdbjplus/data/cc/svg/GJL.svg) | GJL | Name: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one | Formula: | C16 H17 N3 O5 S | SMILES: | CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[S](C)(=O)=O | InChi: | InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3 | Definition date: | 2020-08-31 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one |
|
![811 811](https://data.pdbj.org/pdbjplus/data/cc/svg/811.svg) | 811 | Name: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid | Formula: | C28 H22 Cl3 N3 O5 | SMILES: | OC(=O)c1ccnc(c1)N2CC(O)(C2)c3ccc(OCc4c(onc4c5c(Cl)cccc5Cl)C6CC6)cc3Cl | InChi: | InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36) | Synonyms: | Cilofexor | Definition date: | 2021-11-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid |
|
![88E 88E](https://data.pdbj.org/pdbjplus/data/cc/svg/88E.svg) | 88E | Name: | 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine | Formula: | C20 H23 N3 O2 | SMILES: | Cc1cc(OCCN2CCOCC2)nn1c3ccc4ccccc4c3 | InChi: | InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | Synonyms: | S1RA | Definition date: | 2021-11-29 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine |
|
![9OW 9OW](https://data.pdbj.org/pdbjplus/data/cc/svg/9OW.svg) | 9OW | Name: | 3-selanyl-L-alaninamide | Formula: | C3 H8 N2 O Se | SMILES: | NC(=O)C(N)C[SeH] | InChi: | InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1 | Definition date: | 2021-10-21 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-selanyl-L-alaninamide |
|
![9UV 9UV](https://data.pdbj.org/pdbjplus/data/cc/svg/9UV.svg) | 9UV | Name: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | Formula: | C27 H27 Cl N4 O6 | SMILES: | N#CC=Cc1cc(cc(Cl)c1)Oc1ccc(OCCN2CCOCC2)cc1OCCN1C=CC(=O)NC1=O | InChi: | InChI=1S/C27H27ClN4O6/c28-21-16-20(2-1-6-29)17-23(18-21)38-24-4-3-22(36-14-10-31-8-12-35-13-9-31)19-25(24)37-15-11-32-7-5-26(33)30-27(32)34/h1-5,7,16-19H,8-15H2,(H,30,33,34)/b2-1+ | Definition date: | 2021-10-29 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
|
![9W3 9W3](https://data.pdbj.org/pdbjplus/data/cc/svg/9W3.svg) | 9W3 | Name: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile | Formula: | C28 H30 N8 O2 | SMILES: | N#Cc1ccc(cc1)Nc1nc(nc(Nc2c(C)cc(C=CC#N)cc2C)n1)OCCCN1CCOCC1 | InChi: | InChI=1S/C28H30N8O2/c1-20-17-23(5-3-10-29)18-21(2)25(20)32-27-33-26(31-24-8-6-22(19-30)7-9-24)34-28(35-27)38-14-4-11-36-12-15-37-16-13-36/h3,5-9,17-18H,4,11-16H2,1-2H3,(H2,31,32,33,34,35)/b5-3+ | Definition date: | 2021-10-29 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile |
|
![9WI 9WI](https://data.pdbj.org/pdbjplus/data/cc/svg/9WI.svg) | 9WI | Name: | (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile | Formula: | C22 H17 N7 | SMILES: | N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)n2cc(cc2cc1C)C#N | InChi: | InChI=1S/C22H17N7/c1-14-9-19-10-17(12-24)13-29(19)15(2)21(14)27-20-7-8-25-22(28-20)26-18-5-3-16(11-23)4-6-18/h3-10,13H,1-2H3,(H2,25,26,27,28) | Definition date: | 2021-10-29 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile |
|
![LF6 LF6](https://data.pdbj.org/pdbjplus/data/cc/svg/LF6.svg) | LF6 | Name: | {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol | Formula: | C9 H15 N3 O S | SMILES: | CC1=NC(=NC2CCCC2CO)SN1 | InChi: | InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-8-4-2-3-7(8)5-13/h7-8,13H,2-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol |
|
![LFO LFO](https://data.pdbj.org/pdbjplus/data/cc/svg/LFO.svg) | LFO | Name: | N,1-dimethyl-1H-indole-3-carboxamide | Formula: | C11 H12 N2 O | SMILES: | CNC(=O)c1cn(C)c2ccccc21 | InChi: | InChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | N,1-dimethyl-1H-indole-3-carboxamide |
|
![LGR LGR](https://data.pdbj.org/pdbjplus/data/cc/svg/LGR.svg) | LGR | Name: | 2-[acetyl(methyl)amino]benzoic acid | Formula: | C10 H11 N O3 | SMILES: | CN(C(C)=O)c1ccccc1C(=O)O | InChi: | InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-[acetyl(methyl)amino]benzoic acid |
|
![LHR LHR](https://data.pdbj.org/pdbjplus/data/cc/svg/LHR.svg) | LHR | Name: | N-(1H-indazol-6-yl)acetamide | Formula: | C9 H9 N3 O | SMILES: | CC(=O)Nc1ccc2cn[NH]c2c1 | InChi: | InChI=1S/C9H9N3O/c1-6(13)11-8-3-2-7-5-10-12-9(7)4-8/h2-5H,1H3,(H,10,12)(H,11,13) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | N-(1H-indazol-6-yl)acetamide |
|
![LJ6 LJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/LJ6.svg) | LJ6 | Name: | (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide | Formula: | C11 H18 N2 O2 | SMILES: | CC(Cc1c(C)onc1C)C(=O)N(C)C | InChi: | InChI=1S/C11H18N2O2/c1-7(11(14)13(4)5)6-10-8(2)12-15-9(10)3/h7H,6H2,1-5H3/t7-/m1/s1 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide |
|
![LJK LJK](https://data.pdbj.org/pdbjplus/data/cc/svg/LJK.svg) | LJK | Name: | 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide | Formula: | C10 H17 N3 O | SMILES: | O=C(NC(C)(C)CC)c1cc(C)n[NH]1 | InChi: | InChI=1S/C10H17N3O/c1-5-10(3,4)11-9(14)8-6-7(2)12-13-8/h6H,5H2,1-4H3,(H,11,14)(H,12,13) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide |
|
![LJR LJR](https://data.pdbj.org/pdbjplus/data/cc/svg/LJR.svg) | LJR | Name: | 1-cyclohexyl-N-methylmethanesulfonamide | Formula: | C8 H17 N O2 S | SMILES: | O=S(=O)(CC1CCCCC1)NC | InChi: | InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 1-cyclohexyl-N-methylmethanesulfonamide |
|
![LK6 LK6](https://data.pdbj.org/pdbjplus/data/cc/svg/LK6.svg) | LK6 | Name: | N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide | Formula: | C9 H15 N O3 S | SMILES: | O=S1(=O)CCC(C)(NC(=O)C2CC2)C1 | InChi: | InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m1/s1 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide |
|
![LKL LKL](https://data.pdbj.org/pdbjplus/data/cc/svg/LKL.svg) | LKL | Name: | 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol | Formula: | C8 H10 Cl F N2 O | SMILES: | Fc1cc(Cl)cnc1N(C)CCO | InChi: | InChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol |
|
![LKU LKU](https://data.pdbj.org/pdbjplus/data/cc/svg/LKU.svg) | LKU | Name: | 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide | Formula: | C14 H12 F N O2 | SMILES: | Cc1ccc(NC(=O)c2cccc(F)c2)cc1O | InChi: | InChI=1S/C14H12FNO2/c1-9-5-6-12(8-13(9)17)16-14(18)10-3-2-4-11(15)7-10/h2-8,17H,1H3,(H,16,18) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide |
|
![LL0 LL0](https://data.pdbj.org/pdbjplus/data/cc/svg/LL0.svg) | LL0 | Name: | 2-(difluoromethoxy)benzene-1-sulfonamide | Formula: | C7 H7 F2 N O3 S | SMILES: | O=S(N)(=O)c1ccccc1OC(F)F | InChi: | InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-(difluoromethoxy)benzene-1-sulfonamide |
|
![LLU LLU](https://data.pdbj.org/pdbjplus/data/cc/svg/LLU.svg) | LLU | Name: | (2S)-2-(2-fluorophenoxy)propanoic acid | Formula: | C9 H9 F O3 | SMILES: | CC(Oc1ccccc1F)C(=O)O | InChi: | InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2S)-2-(2-fluorophenoxy)propanoic acid |
|
![LM6 LM6](https://data.pdbj.org/pdbjplus/data/cc/svg/LM6.svg) | LM6 | Name: | 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine | Formula: | C7 H13 N3 | SMILES: | CCn1nccc1CNC | InChi: | InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine |
|