General Information of the Compound
| Compound ID |
CP0401169
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| Compound Name |
4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-methyl)-N-cycloheptylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C26H31ClF3N3O
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| Molecular Weight |
494.001
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| Canonical SMILES |
FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H31ClF3N3O/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)26(28,29)30)32-15-17-33(18-16-32)25(34)31-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,31,34)
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| InChIKey |
DOXSRKJXSVOAIG-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