General Information of the Compound
| Compound ID |
CP0376223
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| Compound Name |
N-(3-tert-butylphenyl)-1-methyl-5-[2-(5-phenyl-1H-imidazol-2-yl)pyridin-4-yl]oxybenzimidazol-2-amine
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| Structure |
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| Formula |
C32H30N6O
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| Molecular Weight |
514.633
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| Canonical SMILES |
Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)-c3ccccc3)ccc12
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| InChI |
InChI=1S/C32H30N6O/c1-32(2,3)22-11-8-12-23(17-22)35-31-37-26-18-24(13-14-29(26)38(31)4)39-25-15-16-33-27(19-25)30-34-20-28(36-30)21-9-6-5-7-10-21/h5-20H,1-4H3,(H,34,36)(H,35,37)
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| InChIKey |
PYBNNACSMHESLC-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