![V3O V3O](https://data.pdbj.org/pdbjplus/data/cc/svg/V3O.svg) | V3O | Name: | N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide | Formula: | C15 H13 Cl N4 O S2 | SMILES: | CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1 | InChi: | InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21) | Definition date: | 2023-09-07 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide |
|
![JRI JRI](https://data.pdbj.org/pdbjplus/data/cc/svg/JRI.svg) | JRI | Name: | (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide | Formula: | C20 H22 F N5 O2 | SMILES: | C[CH]1CN(C[CH](O1)C(=O)N[CH]2CNC[CH]2F)c3ccc(C#N)c4ncccc34 | InChi: | InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m1/s1 | Definition date: | 2022-08-25 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | (2~{R},6~{R})-4-(8-cyanoquinolin-5-yl)-~{N}-[(3~{S},4~{R})-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide |
|
![7UH 7UH](https://data.pdbj.org/pdbjplus/data/cc/svg/7UH.svg) | 7UH | Name: | Doxofylline | Formula: | C11 H14 N4 O4 | SMILES: | CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O | InChi: | InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3 | Synonyms: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione | Definition date: | 2021-10-27 | Last modified: | 2023-09-20 | Release date: | 2023-02-01 | Identifier: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione |
|
![WHQ WHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WHQ.svg) | WHQ | Name: | (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide | Formula: | C21 H18 Cl F N4 O2 S | SMILES: | Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1COC | InChi: | InChI=1S/C21H18ClFN4O2S/c1-24-21(28)19-8-14(11-30-19)27-18-7-13(10-29-2)17(6-12(18)9-25-27)26-20-15(22)4-3-5-16(20)23/h3-9,11,26H,10H2,1-2H3,(H,24,28) | Definition date: | 2022-09-09 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide |
|
![KI0 KI0](https://data.pdbj.org/pdbjplus/data/cc/svg/KI0.svg) | KI0 | Name: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1S)-1-phenylethyl]quinazoline-2,4-dione | Formula: | C25 H24 N2 O5 | SMILES: | C[CH](N1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O)c4ccccc4 | InChi: | InChI=1S/C25H24N2O5/c1-14-17(23(30)22-19(28)10-7-11-20(22)29)12-13-18-21(14)24(31)27(25(32)26(18)3)15(2)16-8-5-4-6-9-16/h4-6,8-9,12-13,15,28H,7,10-11H2,1-3H3/t15-/m0/s1 | Definition date: | 2022-09-21 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1~{S})-1-phenylethyl]quinazoline-2,4-dione |
|
![QBL QBL](https://data.pdbj.org/pdbjplus/data/cc/svg/QBL.svg) | QBL | Name: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione | Formula: | C24 H23 Cl N4 O2 S | SMILES: | Clc1cc(c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c2c(c1)CCCN2C1CNC1 | InChi: | InChI=1S/C24H23ClN4O2S/c25-15-8-14-2-1-7-28(16-11-26-12-16)23(14)19(9-15)18-5-6-27-20-10-17(32-24(18)20)13-29-21(30)3-4-22(29)31/h5-6,8-10,16,26H,1-4,7,11-13H2 | Definition date: | 2022-06-06 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione |
|
![RQB RQB](https://data.pdbj.org/pdbjplus/data/cc/svg/RQB.svg) | RQB | Name: | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | Formula: | C17 H19 N3 O2 | SMILES: | Cn1cc(CC2NC(=O)C3CCCN3C2=O)c2ccccc21 | InChi: | InChI=1S/C17H19N3O2/c1-19-10-11(12-5-2-3-6-14(12)19)9-13-17(22)20-8-4-7-15(20)16(21)18-13/h2-3,5-6,10,13,15H,4,7-9H2,1H3,(H,18,21)/t13-,15-/m0/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
|
![KYR KYR](https://data.pdbj.org/pdbjplus/data/cc/svg/KYR.svg) | KYR | Name: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one | Formula: | C15 H12 N2 O | SMILES: | Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23 | InChi: | InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18) | Definition date: | 2022-06-07 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one |
|
![LFI LFI](https://data.pdbj.org/pdbjplus/data/cc/svg/LFI.svg) | LFI | Name: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one | Formula: | C12 H18 Br3 N3 O3 | SMILES: | BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr | InChi: | InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2 | Synonyms: | Chemical crosslinker | Definition date: | 2022-07-01 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one |
|
![FWU FWU](https://data.pdbj.org/pdbjplus/data/cc/svg/FWU.svg) | FWU | Name: | ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide | Formula: | C27 H28 Cl N3 O2 S | SMILES: | Clc1cc(CNCCCCCN[S](=O)(=O)c2cccc3cnccc23)ccc1c4ccccc4 | InChi: | InChI=1S/C27H28ClN3O2S/c28-26-18-21(12-13-24(26)22-8-3-1-4-9-22)19-29-15-5-2-6-16-31-34(32,33)27-11-7-10-23-20-30-17-14-25(23)27/h1,3-4,7-14,17-18,20,29,31H,2,5-6,15-16,19H2 | Definition date: | 2023-07-20 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide |
|
![IEA IEA](https://data.pdbj.org/pdbjplus/data/cc/svg/IEA.svg) | IEA | Name: | 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione | Formula: | C22 H18 F3 N3 O4 S | SMILES: | CC1(C)N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F | InChi: | InChI=1S/C22H18F3N3O4S/c1-21(2)19(29)28(15-7-9-16(10-8-15)33(31,32)22(23,24)25)20(30)27(21)13-14-11-12-26-18-6-4-3-5-17(14)18/h3-12H,13H2,1-2H3 | Definition date: | 2023-07-28 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione |
|
![IER IER](https://data.pdbj.org/pdbjplus/data/cc/svg/IER.svg) | IER | Name: | 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol | Formula: | C28 H26 F N5 O2 | SMILES: | CCOc1cc(nc2c(F)c(ccc12)c3nc([CH]4C[C](C)(O)C4)n5ccnc(N)c35)c6ccccc6 | InChi: | InChI=1S/C28H26FN5O2/c1-3-36-21-13-20(16-7-5-4-6-8-16)32-23-18(21)9-10-19(22(23)29)24-25-26(30)31-11-12-34(25)27(33-24)17-14-28(2,35)15-17/h4-13,17,35H,3,14-15H2,1-2H3,(H2,30,31)/t17-,28+ | Synonyms: | A156 | Definition date: | 2023-07-28 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol |
|
![IUD IUD](https://data.pdbj.org/pdbjplus/data/cc/svg/IUD.svg) | IUD | Name: | Paltusotine | Formula: | C27 H22 F2 N4 O | SMILES: | NC1CCN(CC1)c2c(cnc3ccc(cc23)c4cccc(C#N)c4O)c5cc(F)cc(F)c5 | InChi: | InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2 | Synonyms: | 3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile | Definition date: | 2022-07-14 | Last modified: | 2023-09-15 | Release date: | 2023-04-19 | Identifier: | 3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile |
|
![IVB IVB](https://data.pdbj.org/pdbjplus/data/cc/svg/IVB.svg) | IVB | Name: | nalfurafine | Formula: | C28 H32 N2 O5 | SMILES: | CN([CH]1CC[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3CC6CC6)c45)C(=O)C=Cc7cocc7 | InChi: | InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1 | Synonyms: | ~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-propanamide | Definition date: | 2022-07-19 | Last modified: | 2023-09-15 | Release date: | 2023-04-12 | Identifier: | (~{E})-~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-prop-2-enamide |
|
![RVQ RVQ](https://data.pdbj.org/pdbjplus/data/cc/svg/RVQ.svg) | RVQ | Name: | ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine | Formula: | C20 H22 Cl2 N8 O | SMILES: | CC(C)n1cnc2c(NCc3[nH]c4cc(Cl)c(Cl)cc4n3)nc(nc12)N5CCOCC5 | InChi: | InChI=1S/C20H22Cl2N8O/c1-11(2)30-10-24-17-18(27-20(28-19(17)30)29-3-5-31-6-4-29)23-9-16-25-14-7-12(21)13(22)8-15(14)26-16/h7-8,10-11H,3-6,9H2,1-2H3,(H,25,26)(H,23,27,28) | Definition date: | 2022-12-06 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine |
|
![RW6 RW6](https://data.pdbj.org/pdbjplus/data/cc/svg/RW6.svg) | RW6 | Name: | 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one | Formula: | C18 H19 N3 O3 S | SMILES: | COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC | InChi: | InChI=1S/C18H19N3O3S/c1-23-14-7-12-13(8-15(14)24-2)19-17(20-18(12)22)10-21-5-3-16-11(9-21)4-6-25-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,20,22) | Definition date: | 2022-12-07 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one |
|
![T9C T9C](https://data.pdbj.org/pdbjplus/data/cc/svg/T9C.svg) | T9C | Name: | (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid | Formula: | C26 H19 N3 O6 | SMILES: | Cc1ccc2c(NC(=O)[C]2(c3c[nH]nc3)c4cc(ccc4O)c5ccc(cc5C(O)=O)C(O)=O)c1 | InChi: | InChI=1S/C26H19N3O6/c1-13-2-6-19-21(8-13)29-25(35)26(19,16-11-27-28-12-16)20-10-14(4-7-22(20)30)17-5-3-15(23(31)32)9-18(17)24(33)34/h2-12,30H,1H3,(H,27,28)(H,29,35)(H,31,32)(H,33,34)/t26-/m1/s1 | Synonyms: | 4-[3-[(3S)-6-methyl-2-oxidanylidene-3-(1H-pyrazol-4-yl)-1H-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid | Definition date: | 2023-01-04 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | 4-[3-[(3~{S})-6-methyl-2-oxidanylidene-3-(1~{H}-pyrazol-4-yl)-1~{H}-indol-3-yl]-4-oxidanyl-phenyl]benzene-1,3-dicarboxylic acid |
|
![K9U K9U](https://data.pdbj.org/pdbjplus/data/cc/svg/K9U.svg) | K9U | Name: | (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide | Formula: | C24 H21 Cl2 F3 N4 O3 | SMILES: | FC(F)(F)CCNC(=O)[CH]1CN(CCN1C(=O)C2=CC(=O)Nc3ccccc23)c4ccc(Cl)c(Cl)c4 | InChi: | InChI=1S/C24H21Cl2F3N4O3/c25-17-6-5-14(11-18(17)26)32-9-10-33(20(13-32)22(35)30-8-7-24(27,28)29)23(36)16-12-21(34)31-19-4-2-1-3-15(16)19/h1-6,11-12,20H,7-10,13H2,(H,30,35)(H,31,34)/t20-/m0/s1 | Definition date: | 2022-09-14 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | (2~{S})-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1~{H}-quinolin-4-yl)carbonyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide |
|
![KAE KAE](https://data.pdbj.org/pdbjplus/data/cc/svg/KAE.svg) | KAE | Name: | 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one | Formula: | C25 H26 Cl2 N4 O3 | SMILES: | Clc1ccc(cc1Cl)N2CCN([CH](CN3CCOCC3)C2)C(=O)C4=CC(=O)Nc5ccccc45 | InChi: | InChI=1S/C25H26Cl2N4O3/c26-21-6-5-17(13-22(21)27)30-7-8-31(18(16-30)15-29-9-11-34-12-10-29)25(33)20-14-24(32)28-23-4-2-1-3-19(20)23/h1-6,13-14,18H,7-12,15-16H2,(H,28,32)/t18-/m0/s1 | Definition date: | 2022-09-14 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one |
|
![XNO XNO](https://data.pdbj.org/pdbjplus/data/cc/svg/XNO.svg) | XNO | Name: | xanomeline | Formula: | C14 H23 N3 O S | SMILES: | CN1CCC=C(C1)c1nsnc1OCCCCCC | InChi: | InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3 | Synonyms: | (5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine | Definition date: | 2023-02-03 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | (5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine |
|
![RMF RMF](https://data.pdbj.org/pdbjplus/data/cc/svg/RMF.svg) | RMF | Name: | ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine | Formula: | C21 H20 Cl2 N10 O | SMILES: | Cn1cc(cn1)n2cnc3c(NCc4[nH]c5cc(Cl)c(Cl)cc5n4)nc(nc23)N6CCOCC6 | InChi: | InChI=1S/C21H20Cl2N10O/c1-31-10-12(8-26-31)33-11-25-18-19(29-21(30-20(18)33)32-2-4-34-5-3-32)24-9-17-27-15-6-13(22)14(23)7-16(15)28-17/h6-8,10-11H,2-5,9H2,1H3,(H,27,28)(H,24,29,30) | Definition date: | 2022-12-05 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine |
|
![RP9 RP9](https://data.pdbj.org/pdbjplus/data/cc/svg/RP9.svg) | RP9 | Name: | ~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide | Formula: | C16 H13 Br N4 O2 | SMILES: | Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1 | InChi: | InChI=1S/C16H13BrN4O2/c17-11-5-6-14(18-9-11)20-15(22)7-8-21-10-19-13-4-2-1-3-12(13)16(21)23/h1-6,9-10H,7-8H2,(H,18,20,22) | Definition date: | 2022-12-05 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | ~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide |
|
![RQE RQE](https://data.pdbj.org/pdbjplus/data/cc/svg/RQE.svg) | RQE | Name: | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine | Formula: | C21 H22 N10 O | SMILES: | Cn1cc(cn1)n2cnc3c(NCc4[nH]c5ccccc5n4)nc(nc23)N6CCOCC6 | InChi: | InChI=1S/C21H22N10O/c1-29-12-14(10-24-29)31-13-23-18-19(22-11-17-25-15-4-2-3-5-16(15)26-17)27-21(28-20(18)31)30-6-8-32-9-7-30/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,26)(H,22,27,28) | Definition date: | 2022-12-06 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine |
|
![RSI RSI](https://data.pdbj.org/pdbjplus/data/cc/svg/RSI.svg) | RSI | Name: | 2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine | Formula: | C24 H27 N7 O | SMILES: | CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5 | InChi: | InChI=1S/C24H27N7O/c1-17(2)31-16-27-21-22(28-24(29-23(21)31)30-11-13-32-14-12-30)26-15-18-6-8-19(9-7-18)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,28,29) | Definition date: | 2022-12-06 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | 2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine |
|
![L3N L3N](https://data.pdbj.org/pdbjplus/data/cc/svg/L3N.svg) | L3N | Name: | 1~{H}-quinazoline-2,4-dione | Formula: | C8 H6 N2 O2 | SMILES: | O=C1NC(=O)c2ccccc2N1 | InChi: | InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) | Definition date: | 2022-06-15 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | 1~{H}-quinazoline-2,4-dione |
|