General Information of the Compound
| Compound ID |
CP0411274
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| Compound Name |
2-(4-((1H-benzo[d]imidazol-2-yl)methyl)-1,4-diazepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
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| Structure |
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| Formula |
C23H29N5O
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| Molecular Weight |
391.519
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| Canonical SMILES |
Cc1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1C
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| InChI |
InChI=1S/C23H29N5O/c1-17-8-9-19(14-18(17)2)24-23(29)16-28-11-5-10-27(12-13-28)15-22-25-20-6-3-4-7-21(20)26-22/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,24,29)(H,25,26)
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| InChIKey |
GZBYLXMGTRNKNZ-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