General Information of the Compound
| Compound ID |
CP0391498
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| Compound Name |
2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
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| Structure |
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| Formula |
C25H19F3N2O
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| Molecular Weight |
420.434
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| Canonical SMILES |
CC(C)(O)c1ccccc1-c1ccc2[nH]c(nc2c1)C#Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H19F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-8,10-13,15,31H,1-2H3,(H,29,30)
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| InChIKey |
SUKMTWBHAUNRSW-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