General Information of the Compound
| Compound ID |
CP0057830
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| Compound Name |
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H25ClN2O4
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| Molecular Weight |
404.894
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| Canonical SMILES |
COCCOc1ncc(cc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@H]1O
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| InChI |
InChI=1S/C21H25ClN2O4/c1-27-10-11-28-21-17(14-6-8-16(22)9-7-14)12-15(13-23-21)20(26)24-18-4-2-3-5-19(18)25/h6-9,12-13,18-19,25H,2-5,10-11H2,1H3,(H,24,26)/t18-,19-/m1/s1
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| InChIKey |
NWVOYLYQWIHTSN-RTBURBONSA-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