General Information of the Compound
| Compound ID |
CP0440119
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| Compound Name |
3-Fluoro-5-(3-isopropyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-benzonitrile
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| Structure |
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| Formula |
C17H14FN3O
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| Molecular Weight |
295.317
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| Canonical SMILES |
CC(C)n1c2cc(ccc2[nH]c1=O)-c1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C17H14FN3O/c1-10(2)21-16-8-12(3-4-15(16)20-17(21)22)13-5-11(9-19)6-14(18)7-13/h3-8,10H,1-2H3,(H,20,22)
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| InChIKey |
LFAOOQVRQNFIDF-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