General Information of the Compound
| Compound ID |
CP0391426
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| Compound Name |
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexane-1-carboxamide
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| Structure |
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| Formula |
C20H30ClN3O
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| Molecular Weight |
363.933
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| Canonical SMILES |
CC1(CCCCC1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H30ClN3O/c1-20(9-3-2-4-10-20)19(25)22-11-12-23-13-15-24(16-14-23)18-7-5-17(21)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,22,25)
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| InChIKey |
BSOHQWLHOBZOOU-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: PT01161, D(4) dopamine receptor