General Information of the Compound
| Compound ID |
CP0884639
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| Compound Name |
5-(4-Chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(3-methyl-5-isoxazolyl)methoxy]-3-pyridinecarboxamide
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| Structure |
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| Formula |
C23H24ClN3O4
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| Molecular Weight |
441.915
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| Canonical SMILES |
Cc1cc(COc2ncc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2-c2ccc(Cl)cc2)on1
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| InChI |
InChI=1S/C23H24ClN3O4/c1-14-10-18(31-27-14)13-30-23-19(15-6-8-17(24)9-7-15)11-16(12-25-23)22(29)26-20-4-2-3-5-21(20)28/h6-12,20-21,28H,2-5,13H2,1H3,(H,26,29)/t20-,21-/m1/s1
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| InChIKey |
YQVCVIQDCQDHGW-NHCUHLMSSA-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