General Information of the Compound
| Compound ID |
CP0458715
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| Compound Name |
1-ethyl-4-phenyl-N-(pyrimidin-5-ylmethyl)benzimidazole-2-carboxamide
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| Structure |
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| Formula |
C21H19N5O
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| Molecular Weight |
357.417
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| Canonical SMILES |
CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1cncnc1
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| InChI |
InChI=1S/C21H19N5O/c1-2-26-18-10-6-9-17(16-7-4-3-5-8-16)19(18)25-20(26)21(27)24-13-15-11-22-14-23-12-15/h3-12,14H,2,13H2,1H3,(H,24,27)
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| InChIKey |
BYCRVQPVYCMIPQ-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