General Information of the Compound
| Compound ID |
CP0489217
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] pentanedioate
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| Structure |
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| Formula |
C47H50Cl2F2N2O6
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| Molecular Weight |
847.827
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C47H50Cl2F2N2O6/c48-38-16-12-36(13-17-38)46(24-30-52(31-25-46)28-2-4-42(54)34-8-20-40(50)21-9-34)58-44(56)6-1-7-45(57)59-47(37-14-18-39(49)19-15-37)26-32-53(33-27-47)29-3-5-43(55)35-10-22-41(51)23-11-35/h8-23H,1-7,24-33H2
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| InChIKey |
ZNZYEIAZHCDSRA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor