General Information of the Compound
| Compound ID |
CP0521990
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| Compound Name |
2-(3-cyanobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C28H27N5O4
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| Molecular Weight |
497.555
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| Canonical SMILES |
COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2cc(ccc12)C(=O)NCc1cccc(OC)c1
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| InChI |
InChI=1S/C28H27N5O4/c1-36-13-5-12-33-25-11-10-22(26(34)30-18-20-7-4-9-23(15-20)37-2)16-24(25)31-28(33)32-27(35)21-8-3-6-19(14-21)17-29/h3-4,6-11,14-16H,5,12-13,18H2,1-2H3,(H,30,34)(H,31,32,35)
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| InChIKey |
ICADVVWCFGRFLR-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