General Information of the Compound
| Compound ID |
CP0424073
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| Compound Name |
1-(4-(3-(azepan-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C27H29FN4O
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| Molecular Weight |
444.554
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| Canonical SMILES |
Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1
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| InChI |
InChI=1S/C27H29FN4O/c28-21-9-14-26-25(20-21)30-27(24-8-3-4-15-29-24)32(26)22-10-12-23(13-11-22)33-19-7-18-31-16-5-1-2-6-17-31/h3-4,8-15,20H,1-2,5-7,16-19H2
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| InChIKey |
QIVRFKXGHZMHEN-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