General Information of the Compound
| Compound ID |
CP0434549
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| Compound Name |
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-phenyl-1H-benzimidazole-2-carboxamide
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
OCC1(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)CCCCC1
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| InChI |
InChI=1S/C22H25N3O2/c26-15-22(12-5-2-6-13-22)14-23-21(27)20-24-18-11-7-10-17(19(18)25-20)16-8-3-1-4-9-16/h1,3-4,7-11,26H,2,5-6,12-15H2,(H,23,27)(H,24,25)
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| InChIKey |
PNFMPRQJWUBQQL-UHFFFAOYSA-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