![A6X A6X](https://data.pdbj.org/pdbjplus/data/cc/svg/A6X.svg) | A6X | Name: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Formula: | C34 H31 F3 N8 O3 | SMILES: | Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCNC(=O)CCNC5=Nn6c(C=C5)ncc6C#Cc(c4)c3C)cc(c2)C(F)(F)F | InChi: | InChI=1S/C34H31F3N8O3/c1-21-19-44(20-41-21)27-15-24(34(35,36)37)14-25(16-27)42-33(47)29-17-28-13-23(22(29)2)5-6-26-18-40-31-8-7-30(43-45(26)31)38-11-9-32(46)39-10-3-4-12-48-28/h7-8,13-20H,3-4,9-12H2,1-2H3,(H,38,43)(H,39,46)(H,42,47) | Definition date: | 2023-05-10 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 |
|
![ODC ODC](https://data.pdbj.org/pdbjplus/data/cc/svg/ODC.svg) | ODC | Name: | 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide | Formula: | C19 H26 Cl2 N2 O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2 | InChi: | InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24) | Definition date: | 2022-09-05 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide |
|
![MRF MRF](https://data.pdbj.org/pdbjplus/data/cc/svg/MRF.svg) | MRF | Name: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H27 Cl2 N3 O3 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H27Cl2N3O3/c21-13-18(26)24-14-15-5-11-25(12-6-15)19(27)20(7-9-23-10-8-20)28-17-3-1-16(22)2-4-17/h1-4,15,23H,5-14H2,(H,24,26) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
|
![MU9 MU9](https://data.pdbj.org/pdbjplus/data/cc/svg/MU9.svg) | MU9 | Name: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H27 Cl2 F2 N3 O2 | SMILES: | FC1(F)CCC(CC1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl | InChi: | InChI=1S/C21H27Cl2F2N3O2/c22-13-18(29)26-14-15-5-11-28(12-6-15)19(30)20(7-9-21(24,25)10-8-20)27-17-3-1-16(23)2-4-17/h1-4,15,27H,5-14H2,(H,26,29) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
|
![MV3 MV3](https://data.pdbj.org/pdbjplus/data/cc/svg/MV3.svg) | MV3 | Name: | 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H29 Cl2 N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C21H30ClN3O2/c1-16(26)23-15-17-9-13-25(14-10-17)20(27)21(11-3-2-4-12-21)24-19-7-5-18(22)6-8-19/h5-8,17,24H,2-4,9-15H2,1H3,(H,23,26) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
|
![MVU MVU](https://data.pdbj.org/pdbjplus/data/cc/svg/MVU.svg) | MVU | Name: | 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C21 H30 Cl N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccccc3 | InChi: | InChI=1S/C21H31N3O2/c1-17(25)22-16-18-10-14-24(15-11-18)20(26)21(12-6-3-7-13-21)23-19-8-4-2-5-9-19/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3,(H,22,25) | Definition date: | 2022-08-04 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide |
|
![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-$l^{4}-azanyl)propanoic acid | Formula: | C17 H31 N4 O7 S | SMILES: | C[CH](O)[CH](N)[CH]1O[CH](Sc2[nH]c(C[CH](C(O)=O)[N+](C)(C)C)cn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C17H30N4O7S/c1-7(22)10(18)14-12(24)11(23)13(25)16(28-14)29-17-19-6-8(20-17)5-9(15(26)27)21(2,3)4/h6-7,9-14,16,22-25H,5,18H2,1-4H3,(H-,19,20,26,27)/p+1/t7-,9+,10-,11+,12-,13-,14-,16+/m1/s1 | Definition date: | 2023-03-17 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | [(2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium |
|
![3LY 3LY](https://data.pdbj.org/pdbjplus/data/cc/svg/3LY.svg) | 3LY | Name: | [(~{Z},2~{R},3~{S})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate | Formula: | C39 H80 N2 O6 P | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(NC(=O)CCCCCCCCCCCCCCC)C(O)/C=CCCCCCCCCCCCCC | InChi: | InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30-/t37-,38+/m1/s1 | Definition date: | 2021-07-06 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (4S,7R)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphatetracosan-1-aminium |
|
![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 |
|
![O0O O0O](https://data.pdbj.org/pdbjplus/data/cc/svg/O0O.svg) | O0O | Name: | 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | Formula: | C20 H28 Cl2 N4 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27) | Definition date: | 2022-08-25 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
|
![O2X O2X](https://data.pdbj.org/pdbjplus/data/cc/svg/O2X.svg) | O2X | Name: | ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide | Formula: | C23 H31 Cl2 N3 O3 | SMILES: | ClCC(=O)N1CCC2(CC1)CC(CNC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C2 | InChi: | InChI=1S/C23H31Cl2N3O3/c24-15-20(29)28-9-5-22(6-10-28)13-17(14-22)16-26-21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,30) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide |
|
![O3F O3F](https://data.pdbj.org/pdbjplus/data/cc/svg/O3F.svg) | O3F | Name: | 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide | Formula: | C23 H31 Cl2 N3 O3 | SMILES: | ClCC(=O)NCC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1 | InChi: | InChI=1S/C23H31Cl2N3O3/c24-15-20(29)26-16-17-13-22(14-17)5-9-28(10-6-22)21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,29) | Definition date: | 2022-08-26 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![HWL HWL](https://data.pdbj.org/pdbjplus/data/cc/svg/HWL.svg) | HWL | Name: | Flavoxate | Formula: | C24 H25 N O4 | SMILES: | CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4 | InChi: | InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3 | Synonyms: | 2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate | Definition date: | 2021-02-19 | Last modified: | 2023-09-15 | Release date: | 2023-02-15 | Identifier: | 2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate |
|
![V8R V8R](https://data.pdbj.org/pdbjplus/data/cc/svg/V8R.svg) | V8R | Name: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid | Formula: | C22 H22 N2 O6 | SMILES: | O[CH]1[CH](O)[CH](n2cc(CCc3cccc(Oc4ccccc4)c3)nc2[CH]1O)C(O)=O | InChi: | InChI=1S/C22H22N2O6/c25-18-17(22(28)29)24-12-14(23-21(24)20(27)19(18)26)10-9-13-5-4-8-16(11-13)30-15-6-2-1-3-7-15/h1-8,11-12,17-20,25-27H,9-10H2,(H,28,29)/t17-,18+,19-,20+/m0/s1 | Definition date: | 2023-07-10 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid |
|
![DNI DNI](https://data.pdbj.org/pdbjplus/data/cc/svg/DNI.svg) | DNI | Name: | Opicapone | Formula: | C15 H10 Cl2 N4 O6 | SMILES: | Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1c2noc(n2)c3cc(O)c(O)c(c3)[N+]([O-])=O | InChi: | InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3 | Synonyms: | 5-[3-[2,5-bis(chloranyl)-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl]-1,2,4-oxadiazol-5-yl]-3-nitro-benzene-1,2-diol | Definition date: | 2022-04-15 | Last modified: | 2023-09-15 | Release date: | 2023-04-12 | Identifier: | 5-[3-[2,5-bis(chloranyl)-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl]-1,2,4-oxadiazol-5-yl]-3-nitro-benzene-1,2-diol |
|
![VW0 VW0](https://data.pdbj.org/pdbjplus/data/cc/svg/VW0.svg) | VW0 | Name: | (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid | Formula: | C11 H20 N O11 P | SMILES: | C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O | InChi: | InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11+/m1/s1 | Definition date: | 2023-04-12 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid |
|
![T6X T6X](https://data.pdbj.org/pdbjplus/data/cc/svg/T6X.svg) | T6X | Name: | (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol | Formula: | C27 H36 N6 O | SMILES: | CC[CH](CO)Nc1nc(NCCCCCc2cccc3ccccc23)c4ncn(C(C)C)c4n1 | InChi: | InChI=1S/C27H36N6O/c1-4-22(17-34)30-27-31-25(24-26(32-27)33(18-29-24)19(2)3)28-16-9-5-6-11-20-13-10-14-21-12-7-8-15-23(20)21/h7-8,10,12-15,18-19,22,34H,4-6,9,11,16-17H2,1-3H3,(H2,28,30,31,32)/t22-/m1/s1 | Definition date: | 2022-12-21 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (2~{R})-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
|
![WEU WEU](https://data.pdbj.org/pdbjplus/data/cc/svg/WEU.svg) | WEU | Name: | 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide | Formula: | C11 H14 Cl N3 O2 | SMILES: | CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1 | InChi: | InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17) | Definition date: | 2022-09-06 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | N'-acetyl-2-[(4-chlorophenyl)(methyl)amino]acetohydrazide (non-preferred name) |
|
![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 |
|