PDB CCD ID: | 7RU |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H32 Cl2 N4 O |
InChI: | InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- |
InChIKey: | KPWSJANDNDDRMB-QAQDUYKDSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl | CACTVS 3.385 | CN(C)C(=O)N[C@H]1CC[C@@H](CC1)CCN2CCN(CC2)c3cccc(Cl)c3Cl | CACTVS 3.385 | CN(C)C(=O)N[CH]1CC[CH](CC1)CCN2CCN(CC2)c3cccc(Cl)c3Cl |
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Name: | 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea; Cariprazine |
ChEMBL: | CHEMBL2028019 |
DrugBank: | DB06016 |
ZINC: | ZINC000100907004 |