General Information of the Compound
| Compound ID |
CP0385669
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] dodecanedioate
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| Structure |
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| Formula |
C54H64Cl2F2N2O6
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| Molecular Weight |
946.016
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C54H64Cl2F2N2O6/c55-45-23-19-43(20-24-45)53(31-37-59(38-32-53)35-9-11-49(61)41-15-27-47(57)28-16-41)65-51(63)13-7-5-3-1-2-4-6-8-14-52(64)66-54(44-21-25-46(56)26-22-44)33-39-60(40-34-54)36-10-12-50(62)42-17-29-48(58)30-18-42/h15-30H,1-14,31-40H2
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| InChIKey |
JBVFOIKUFJIXQZ-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