N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Formula:C23H25N6O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C23H25N6O3Cl |
| Smiles | Clc1cc(-c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)c3)o2)ccc1 |
| InChI | InChI=1S/C23H25ClN6O3/c24-18-3-1-2-17(14-18)20-5-4-19(33-20)16-25-28-21-15-22(29-6-10-31-11-7-29)27-23(26-21)30-8-12-32-13-9-30/h1-5,14-16H,6-13H2,(H,26,27,28) |
| InChIK | KGIRYEIQJBQVLB-UHFFFAOYSA-N |
| TotalMolweight | 468.944 |
| Molweight | 468.944 |
| MonoisotopicMass | 468.167666 |
| CLogP | 5.2329 |
| CLogS | -5.868 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 355.31 |
| Relative PSA | 0.24238 |
| PolarSurfaceArea | 88.25 |
| Druglikeness | 5.1983 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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