General Information of the Compound
| Compound ID |
CP0249994
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| Compound Name |
2-[4-(2-fluoropyridin-3-yl)anilino]-3H-benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C19H12FN5
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| Molecular Weight |
329.338
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| Canonical SMILES |
Fc1ncccc1-c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
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| InChI |
InChI=1S/C19H12FN5/c20-18-15(2-1-9-22-18)13-4-6-14(7-5-13)23-19-24-16-8-3-12(11-21)10-17(16)25-19/h1-10H,(H2,23,24,25)
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| InChIKey |
VFAPMHXLINRCAL-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