General Information of the Compound
| Compound ID |
CP0902668
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| Compound Name |
5-(4-Chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridinecarboxamide
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| Structure |
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| Formula |
C22H25ClN2O3
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| Molecular Weight |
400.906
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| Canonical SMILES |
O=C(N[C@H]1CCCC[C@@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C22H25ClN2O3/c23-17-9-7-15(8-10-17)18-11-16(12-24-22(18)28-13-14-5-6-14)21(27)25-19-3-1-2-4-20(19)26/h7-12,14,19-20,26H,1-6,13H2,(H,25,27)/t19-,20-/m0/s1
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| InChIKey |
IRNGVYZGPNAVHN-PMACEKPBSA-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