General Information of the Compound
| Compound ID |
CP0326947
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| Compound Name |
4-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
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| Structure |
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| Formula |
C21H24N4O
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| Molecular Weight |
348.45
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C21H24N4O/c1-16-8-10-17(11-9-16)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26)
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| InChIKey |
ZUUSQINWWMDMMW-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: PT01200, Delta-type opioid receptor
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor