General Information of the Compound
| Compound ID |
CP0857254
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| Compound Name |
N-(1-(1-Acryloylazepan-4-yl)-5-methyl-1H-benzo[d]-imidazol-2-yl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C25H25F3N4O2
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| Molecular Weight |
470.495
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| Canonical SMILES |
C=CC(=O)N1CCCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(C)ccc32)CC1
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| InChI |
InChI=1S/C25H25F3N4O2/c1-3-22(33)31-12-5-8-19(11-13-31)32-21-10-9-16(2)14-20(21)29-24(32)30-23(34)17-6-4-7-18(15-17)25(26,27)28/h3-4,6-7,9-10,14-15,19H,1,5,8,11-13H2,2H3,(H,29,30,34)
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| InChIKey |
FNFCVOITONFTEF-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