2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C26H20N7OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C26H20N7OCl |
| Smiles | Clc1cc(-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)ccc1 |
| InChI | InChI=1S/C26H20ClN7O/c27-19-9-7-8-18(16-19)23-15-14-22(35-23)17-28-34-26-32-24(29-20-10-3-1-4-11-20)31-25(33-26)30-21-12-5-2-6-13-21/h1-17H,(H3,29,30,31,32,33,34) |
| InChIK | KGTLEYODXDKGIX-UHFFFAOYSA-N |
| TotalMolweight | 481.946 |
| Molweight | 481.946 |
| MonoisotopicMass | 481.141785 |
| CLogP | 8.8682 |
| CLogS | -8.687 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 372.83 |
| Relative PSA | 0.2492 |
| PolarSurfaceArea | 100.26 |
| Druglikeness | 4.5376 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
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