General Information of the Compound
| Compound ID |
CP0385665
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| Compound Name |
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] nonanedioate
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| Structure |
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| Formula |
C51H58Cl2F2N2O6
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| Molecular Weight |
903.935
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(OC(=O)CCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C51H58Cl2F2N2O6/c52-42-20-16-40(17-21-42)50(28-34-56(35-29-50)32-6-8-46(58)38-12-24-44(54)25-13-38)62-48(60)10-4-2-1-3-5-11-49(61)63-51(41-18-22-43(53)23-19-41)30-36-57(37-31-51)33-7-9-47(59)39-14-26-45(55)27-15-39/h12-27H,1-11,28-37H2
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| InChIKey |
VQMDEMJGEQRPDH-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