General Information of the Compound
| Compound ID |
CP0946962
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| Compound Name |
5-(4-Chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(4-pyridinylmethoxy)-3-pyridinecarboxamide
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| Structure |
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| Formula |
C24H24ClN3O3
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| Molecular Weight |
437.927
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| Canonical SMILES |
O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ccncc2)c(-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C24H24ClN3O3/c25-19-7-5-17(6-8-19)20-13-18(23(30)28-21-3-1-2-4-22(21)29)14-27-24(20)31-15-16-9-11-26-12-10-16/h5-14,21-22,29H,1-4,15H2,(H,28,30)/t21-,22-/m1/s1
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| InChIKey |
RESZTQWSVRJAHG-FGZHOGPDSA-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