General Information of the Compound
| Compound ID |
CP0112393
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| Compound Name |
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzonitrile
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| Structure |
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| Formula |
C22H14FN3
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| Molecular Weight |
339.373
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| Canonical SMILES |
Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H14FN3/c23-19-7-5-16(6-8-19)20-13-21(17-3-1-15(14-24)2-4-17)26-22(20)18-9-11-25-12-10-18/h1-13,26H
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| InChIKey |
NVWTWHYQHRAFNN-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