![O3O O3O](https://data.pdbj.org/pdbjplus/data/cc/svg/O3O.svg) | O3O | Name: | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide | Formula: | C21 H30 Cl2 N4 O2 | SMILES: | ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide |
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![O3T O3T](https://data.pdbj.org/pdbjplus/data/cc/svg/O3T.svg) | O3T | Name: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H26 Cl2 F2 N2 O3 | SMILES: | FC1(F)CCC(CC1)(Oc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl | InChi: | InChI=1S/C21H26Cl2F2N2O3/c22-13-18(28)26-14-15-5-11-27(12-6-15)19(29)20(7-9-21(24,25)10-8-20)30-17-3-1-16(23)2-4-17/h1-4,15H,5-14H2,(H,26,28) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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![O49 O49](https://data.pdbj.org/pdbjplus/data/cc/svg/O49.svg) | O49 | Name: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H26 Cl2 N2 O4 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H26Cl2N2O4/c21-13-18(25)23-14-15-5-9-24(10-6-15)19(26)20(7-11-27-12-8-20)28-17-3-1-16(22)2-4-17/h1-4,15H,5-14H2,(H,23,25) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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![O4I O4I](https://data.pdbj.org/pdbjplus/data/cc/svg/O4I.svg) | O4I | Name: | 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide | Formula: | C18 H24 Cl2 N2 O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl | InChi: | InChI=1S/C18H24Cl2N2O3/c1-18(2,25-15-5-3-14(20)4-6-15)17(24)22-9-7-13(8-10-22)12-21-16(23)11-19/h3-6,13H,7-12H2,1-2H3,(H,21,23) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide |
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![O5I O5I](https://data.pdbj.org/pdbjplus/data/cc/svg/O5I.svg) | O5I | Name: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H27 Cl2 N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26) | Definition date: | 2022-08-30 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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![O6L O6L](https://data.pdbj.org/pdbjplus/data/cc/svg/O6L.svg) | O6L | Name: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H26 Cl2 N2 O3 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H26Cl2N2O3/c21-13-18(25)23-14-15-7-11-24(12-8-15)19(26)20(9-1-2-10-20)27-17-5-3-16(22)4-6-17/h3-6,15H,1-2,7-14H2,(H,23,25) | Definition date: | 2022-08-30 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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![Q3L Q3L](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3L.svg) | Q3L | Name: | (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid | Formula: | C17 H31 N4 O7 S | SMILES: | C[CH](O)[CH](N)[CH]1O[CH](Sc2[nH]c(C[CH](C(O)=O)[N+](C)(C)C)cn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C17H30N4O7S/c1-7(22)10(18)14-12(24)11(23)13(25)16(28-14)29-17-19-6-8(20-17)5-9(15(26)27)21(2,3)4/h6-7,9-14,16,22-25H,5,18H2,1-4H3,(H-,19,20,26,27)/p+1/t7-,9+,10-,11+,12-,13-,14-,16+/m1/s1 | Definition date: | 2023-03-17 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | [(2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium |
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![QWR QWR](https://data.pdbj.org/pdbjplus/data/cc/svg/QWR.svg) | QWR | Name: | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine | Formula: | C25 H27 Br N8 | SMILES: | CC1(C)CCN(CC1)Cc2ccc3nc(Cn4cc(nn4)c5cc(Br)cc6n[nH]cc56)cn3c2 | InChi: | InChI=1S/C25H27BrN8/c1-25(2)5-7-32(8-6-25)12-17-3-4-24-28-19(14-33(24)13-17)15-34-16-23(30-31-34)20-9-18(26)10-22-21(20)11-27-29-22/h3-4,9-11,13-14,16H,5-8,12,15H2,1-2H3,(H,27,29) | Definition date: | 2022-11-15 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine |
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![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 |
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![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 |
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![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 |
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![AP0 AP0](https://data.pdbj.org/pdbjplus/data/cc/svg/AP0.svg) | AP0 | Name: | ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED | Formula: | C22 H30 N6 O14 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=C(CC=C3)C(C)=O)C(O)C2O)C(O)C1O | InChi: | InChI=1S/C22H30N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1 | Definition date: | 2005-08-09 | Last modified: | 2023-09-13 | Identifier: | [(2R,3S,4R,5R)-5-(3-acetylpyridin-1(4H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![JG5 JG5](https://data.pdbj.org/pdbjplus/data/cc/svg/JG5.svg) | JG5 | Name: | Somapacitan | Formula: | C51 H89 N11 O19 S | SMILES: | CC(=O)NCCCC[CH](NC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CC[CH](NC(=O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C51H89N11O19S/c1-38(63)52-26-16-15-18-39(49(70)71)56-47(68)36-80-33-32-79-30-28-54-44(65)24-22-40(50(72)73)55-45(66)25-23-41(51(74)75)57-48(69)37-81-34-31-78-29-27-53-43(64)21-17-35-82(76,77)60-46(67)20-14-12-10-8-6-4-2-3-5-7-9-11-13-19-42-58-61-62-59-42/h39-41H,2-37H2,1H3,(H,52,63)(H,53,64)(H,54,65)(H,55,66)(H,56,68)(H,57,69)(H,60,67)(H,70,71)(H,72,73)(H,74,75)(H,58,59,61,62)/t39-,40+,41-/m0/s1 | Synonyms: | (2S)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4S)-4-carboxy-4-[[2-[2-[2-[4-[16-(1H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid | Definition date: | 2019-02-20 | Last modified: | 2023-09-13 | Release date: | 2020-02-05 | Identifier: | (2~{S})-6-acetamido-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid |
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![84K 84K](https://data.pdbj.org/pdbjplus/data/cc/svg/84K.svg) | 84K | Name: | Carfentanil | Formula: | C24 H30 N2 O3 | SMILES: | O=C(OC)C1(CCN(CCc2ccccc2)CC1)N(c1ccccc1)C(=O)CC | InChi: | InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3 | Synonyms: | methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate | Definition date: | 2023-07-12 | Last modified: | 2023-09-13 | Release date: | 2023-08-16 | Identifier: | methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate |
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![IUN IUN](https://data.pdbj.org/pdbjplus/data/cc/svg/IUN.svg) | IUN | Name: | LCL-161 | Formula: | C26 H33 F N4 O3 S | SMILES: | CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CCCC1c1nc(cs1)C(=O)c1ccc(F)cc1 | InChi: | InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1 | Synonyms: | N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N~2~-methyl-L-alaninamide | Definition date: | 2022-01-31 | Last modified: | 2023-09-13 | Release date: | 2023-08-02 | Identifier: | N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N~2~-methyl-L-alaninamide |
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![Y4B Y4B](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4B.svg) | Y4B | Name: | allopregnanolone | Formula: | C21 H34 O2 | SMILES: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | InChi: | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 | Synonyms: | 3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one | Definition date: | 2023-01-03 | Last modified: | 2023-09-09 | Release date: | 2023-08-30 | Identifier: | 3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one |
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![RZO RZO](https://data.pdbj.org/pdbjplus/data/cc/svg/RZO.svg) | RZO | Name: | [bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid | Formula: | C6 H12 Cl2 O7 P2 | SMILES: | CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O | InChi: | InChI=1S/C6H12Cl2O7P2/c1-5(4-9)2-3-15-17(13,14)6(7,8)16(10,11)12/h2,9H,3-4H2,1H3,(H,13,14)(H2,10,11,12)/b5-2+ | Definition date: | 2023-04-07 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | [bis(chloranyl)-[[(~{E})-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid |
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![VPH VPH](https://data.pdbj.org/pdbjplus/data/cc/svg/VPH.svg) | VPH | Name: | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate | Formula: | C8 H14 O6 | SMILES: | COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1 | InChi: | InChI=1S/C8H14O6/c1-13-8(12)5-2-4(10)7(11)6(3-9)14-5/h4-7,9-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1 | Definition date: | 2023-03-24 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate |
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![VPL VPL](https://data.pdbj.org/pdbjplus/data/cc/svg/VPL.svg) | VPL | Name: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide | Formula: | C7 H13 N O5 | SMILES: | NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1 | InChi: | InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1 | Definition date: | 2023-03-24 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide |
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![VPQ VPQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VPQ.svg) | VPQ | Name: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide | Formula: | C7 H13 N O6 | SMILES: | NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6-/m1/s1 | Definition date: | 2023-03-24 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide |
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![UH3 UH3](https://data.pdbj.org/pdbjplus/data/cc/svg/UH3.svg) | UH3 | Name: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide | Formula: | C14 H12 N4 O2 | SMILES: | Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O | InChi: | InChI=1S/C14H12N4O2/c1-7-12(17-6-16-7)5-10-9-4-8(13(15)19)2-3-11(9)18-14(10)20/h2-6H,1H3,(H2,15,19)(H,16,17)(H,18,20) | Definition date: | 2023-09-05 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide |
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![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 |
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![WCJ WCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WCJ.svg) | WCJ | Name: | N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide | Formula: | C28 H26 F N7 O2 | SMILES: | CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1 | InChi: | InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33) | Definition date: | 2023-05-11 | Last modified: | 2023-09-08 | Release date: | 2023-06-07 | Identifier: | N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide |
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![ULL ULL](https://data.pdbj.org/pdbjplus/data/cc/svg/ULL.svg) | ULL | Name: | propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | Formula: | C26 H24 Br N3 O3 | SMILES: | O=C(c1ccc(Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC(C)C)cc1 | InChi: | InChI=1S/C26H24BrN3O3/c1-17(2)33-26(32)28-22-14-10-18(11-15-22)23-16-24(19-6-4-3-5-7-19)30(29-23)25(31)20-8-12-21(27)13-9-20/h3-15,17,24H,16H2,1-2H3,(H,28,32)/t24-/m0/s1 | Definition date: | 2023-09-06 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 | Identifier: | propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate |
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![ZWH ZWH](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWH.svg) | ZWH | Name: | [Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2] | Formula: | C23 H28 N2 O10 Ru2 | SMILES: | C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5 | InChi: | InChI=1S/C13H12N2.2C4H6O4.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | Definition date: | 2023-07-06 | Last modified: | 2023-09-08 | Release date: | 2023-09-13 |
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