General Information of the Compound
| Compound ID |
CP0443545
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| Compound Name |
N-[(4-cyanophenyl)methyl]-1-ethyl-4-phenylbenzimidazole-2-carboxamide
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| Structure |
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| Formula |
C24H20N4O
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| Molecular Weight |
380.451
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| Canonical SMILES |
CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H20N4O/c1-2-28-21-10-6-9-20(19-7-4-3-5-8-19)22(21)27-23(28)24(29)26-16-18-13-11-17(15-25)12-14-18/h3-14H,2,16H2,1H3,(H,26,29)
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| InChIKey |
BQKOUFSWNAVYGG-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