General Information of the Compound
| Compound ID |
CP0538646
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| Compound Name |
2-[(3-chlorophenoxy)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
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| Structure |
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| Formula |
C22H27ClN4O
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| Molecular Weight |
398.938
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| Canonical SMILES |
CN1CCN(CCCn2c(COc3cccc(Cl)c3)nc3ccccc23)CC1
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| InChI |
InChI=1S/C22H27ClN4O/c1-25-12-14-26(15-13-25)10-5-11-27-21-9-3-2-8-20(21)24-22(27)17-28-19-7-4-6-18(23)16-19/h2-4,6-9,16H,5,10-15,17H2,1H3
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| InChIKey |
ITTWQYMSQAHDIB-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