General Information of the Compound
| Compound ID |
CP0682498
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| Compound Name |
N-(4-(4-(2-chlorophenyl)piperazin-1-yl)butyl)-3,4-dimethoxybenzamide
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| Structure |
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| Formula |
C23H30ClN3O3
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| Molecular Weight |
431.964
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| Canonical SMILES |
COc1ccc(C(=O)NCCCCN2CCN(c3ccccc3Cl)CC2)cc1OC
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| InChI |
InChI=1S/C23H30ClN3O3/c1-29-21-10-9-18(17-22(21)30-2)23(28)25-11-5-6-12-26-13-15-27(16-14-26)20-8-4-3-7-19(20)24/h3-4,7-10,17H,5-6,11-16H2,1-2H3,(H,25,28)
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| InChIKey |
WGZMUKVNOBTQJA-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor