General Information of the Compound
| Compound ID |
CP0379057
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| Compound Name |
4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-tert-butylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C22H27BrClN3O
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| Molecular Weight |
464.835
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| Canonical SMILES |
CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Br)cc1)c1ccccc1Cl
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| InChI |
InChI=1S/C22H27BrClN3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
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| InChIKey |
QGDJXRXKUHTDSO-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2