General Information of the Compound
| Compound ID |
CP0547242
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| Compound Name |
N'-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
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| Formula |
C26H29FN4O
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| Molecular Weight |
432.543
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| Canonical SMILES |
COc1ccc(CCNCCCNc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C26H29FN4O/c1-32-23-13-9-20(10-14-23)15-18-28-16-4-17-29-26-30-24-5-2-3-6-25(24)31(26)19-21-7-11-22(27)12-8-21/h2-3,5-14,28H,4,15-19H2,1H3,(H,29,30)
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| InChIKey |
KASPLAXMVHIUSG-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