General Information of the Compound
| Compound ID |
CP0943808
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| Compound Name |
5-(4-Chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(phenylmethoxy)-3-pyridinecarboxamide
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| Structure |
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| Formula |
C25H25ClN2O3
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| Molecular Weight |
436.939
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| Canonical SMILES |
O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C25H25ClN2O3/c26-20-12-10-18(11-13-20)21-14-19(24(30)28-22-8-4-5-9-23(22)29)15-27-25(21)31-16-17-6-2-1-3-7-17/h1-3,6-7,10-15,22-23,29H,4-5,8-9,16H2,(H,28,30)/t22-,23-/m1/s1
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| InChIKey |
FIOMBLBFVUIYQY-DHIUTWEWSA-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