General Information of the Compound
| Compound ID |
CP0399001
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| Compound Name |
4-((4-Chlorophenyl)(2,3-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)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32)
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| InChIKey |
AQPNOTUHFDEZEY-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