General Information of the Compound
| Compound ID |
CP0422099
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| Compound Name |
2-[(4-bromophenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole
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| Structure |
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| Formula |
C21H24BrN3
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| Molecular Weight |
398.348
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| Canonical SMILES |
CN1CCCC1CCn1c(Cc2ccc(Br)cc2)nc2ccccc12
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| InChI |
InChI=1S/C21H24BrN3/c1-24-13-4-5-18(24)12-14-25-20-7-3-2-6-19(20)23-21(25)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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| InChIKey |
GPZRERIINHYUDV-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