General Information of the Compound
| Compound ID |
CP0566990
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| Compound Name |
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cycloheptylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C25H30Cl3N3O
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| Molecular Weight |
494.894
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H30Cl3N3O/c26-19-9-7-18(8-10-19)24(22-12-11-20(27)17-23(22)28)30-13-15-31(16-14-30)25(32)29-21-5-3-1-2-4-6-21/h7-12,17,21,24H,1-6,13-16H2,(H,29,32)
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| InChIKey |
YTVMPMNEIJFXJB-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