General Information of the Compound
| Compound ID |
CP0907030
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| Compound Name |
N-(4-{2-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide
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| Structure |
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| Formula |
C25H31Cl2N3O
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| Molecular Weight |
460.449
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| Canonical SMILES |
O=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccccc1
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| InChI |
InChI=1S/C25H31Cl2N3O/c26-22-7-4-8-23(24(22)27)30-17-15-29(16-18-30)14-13-19-9-11-21(12-10-19)28-25(31)20-5-2-1-3-6-20/h1-8,19,21H,9-18H2,(H,28,31)
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| InChIKey |
IBNGPFLSWWZTBJ-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