General Information of the Compound
| Compound ID |
CP0379058
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| Compound Name |
4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C24H28Cl3N3O
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| Molecular Weight |
480.867
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31)
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| InChIKey |
BWRQQTYERKIARX-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