General Information of the Compound
| Compound ID |
CP0096004
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| Compound Name |
2-(4-((1H-benzo[d]imidazol-2-yl)methyl)-1,4-diazepan-1-yl)-N-(4-(trifluoromethyl)phenyl)acetamide
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| Structure |
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| Formula |
C22H24F3N5O
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| Molecular Weight |
431.462
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)cc1
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| InChI |
InChI=1S/C22H24F3N5O/c23-22(24,25)16-6-8-17(9-7-16)26-21(31)15-30-11-3-10-29(12-13-30)14-20-27-18-4-1-2-5-19(18)28-20/h1-2,4-9H,3,10-15H2,(H,26,31)(H,27,28)
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| InChIKey |
RYPKEUHHCZTDNT-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