General Information of the Compound
| Compound ID |
CP0911978
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| Compound Name |
5-(2-chloro-5-(trifluoromethyl)phenyl)-1-(cyclohexylmethyl)-N-((1R,2R)-2-hydroxycyclohexyl)-2-methyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C26H32ClF3N2O2
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| Molecular Weight |
497.001
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| Canonical SMILES |
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1CCCCC1
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| InChI |
InChI=1S/C26H32ClF3N2O2/c1-16-19(25(34)31-22-9-5-6-10-24(22)33)14-23(32(16)15-17-7-3-2-4-8-17)20-13-18(26(28,29)30)11-12-21(20)27/h11-14,17,22,24,33H,2-10,15H2,1H3,(H,31,34)/t22-,24-/m1/s1
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| InChIKey |
PQBDBHYRIVQVTM-ISKFKSNPSA-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