General Information of the Compound
| Compound ID |
CP0417726
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| Compound Name |
2-(4-((1H-benzo[d]imidazol-2-yl)methyl)-1,4-diazepan-1-yl)-N-(2-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
COc1ccccc1NC(=O)CN1CCCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C22H27N5O2/c1-29-20-10-5-4-9-19(20)25-22(28)16-27-12-6-11-26(13-14-27)15-21-23-17-7-2-3-8-18(17)24-21/h2-5,7-10H,6,11-16H2,1H3,(H,23,24)(H,25,28)
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| InChIKey |
HSVRYDNYLXLQAT-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