2,4-diamino-6-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]pyridine-3,5-dicarbonitrile
Formula:C20H12N6O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,4-diamino-6-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]pyridine-3,5-dicarbonitrile is a drug-like molecule.
| MolName | 2,4-diamino-6-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]pyridine-3,5-dicarbonitrile |
| MolecularFormula | C20H12N6O |
| Smiles | Nc(c(C#N)c(N)nc1/C(/C#N)=C/c2ccc(-c3ccccc3)o2)c1C#N |
| InChI | InChI=1S/C20H12N6O/c21-9-13(19-15(10-22)18(24)16(11-23)20(25)26-19)8-14-6-7-17(27-14)12-4-2-1-3-5-12/h1-8H,(H4,24,25,26) |
| InChIK | LOGKDKIDIKNUCE-UHFFFAOYSA-N |
| TotalMolweight | 352.356 |
| Molweight | 352.356 |
| MonoisotopicMass | 352.107259 |
| CLogP | 1.9926 |
| CLogS | -6.541 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 288.11 |
| Relative PSA | 0.33425 |
| PolarSurfaceArea | 149.44 |
| Druglikeness | -3.5779 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,3-diamino-aryl |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2,4-diamino-6-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]pyridine-3,5-dicarbonitrile | 2 - 2,4-diamino-6-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]pyridine-3,5-dicarbonitrile
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