General Information of the Compound
| Compound ID |
CP0381658
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| Compound Name |
2-Amino-4-phenyl-6-(1-H-pyrrol-2-yl)-nicotinonitrile
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| Structure |
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| Formula |
C16H12N4
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| Molecular Weight |
260.3
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| Canonical SMILES |
Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccc[nH]1
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| InChI |
InChI=1S/C16H12N4/c17-10-13-12(11-5-2-1-3-6-11)9-15(20-16(13)18)14-7-4-8-19-14/h1-9,19H,(H2,18,20)
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| InChIKey |
ODNMCOQRYNWFFM-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