General Information of the Compound
| Compound ID |
CP0498733
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| Compound Name |
3-(1-((1-Methyl-1H-benzo[d]imidazol-2-yl)methyl)piperidin-4-yl)-benzonitrile
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| Structure |
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| Formula |
C21H22N4
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| Molecular Weight |
330.435
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| Canonical SMILES |
Cn1c(CN2CCC(CC2)c2cccc(c2)C#N)nc2ccccc12
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| InChI |
InChI=1S/C21H22N4/c1-24-20-8-3-2-7-19(20)23-21(24)15-25-11-9-17(10-12-25)18-6-4-5-16(13-18)14-22/h2-8,13,17H,9-12,15H2,1H3
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| InChIKey |
JEBDEWUTVKJJRZ-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