N-[(Z)-anthracen-9-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
Formula:C26H27N7O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-anthracen-9-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C26H27N7O2 |
| Smiles | C(COCC1)N1c1nc(N/N=C\c2c(cccc3)c3cc3ccccc23)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C26H27N7O2/c1-3-7-21-19(5-1)17-20-6-2-4-8-22(20)23(21)18-27-31-24-28-25(32-9-13-34-14-10-32)30-26(29-24)33-11-15-35-16-12-33/h1-8,17-18H,9-16H2,(H,28,29,30,31) |
| InChIK | CYDXHLPEFUKJOL-UHFFFAOYSA-N |
| TotalMolweight | 469.547 |
| Molweight | 469.547 |
| MonoisotopicMass | 469.222623 |
| CLogP | 5.9893 |
| CLogS | -6.753 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 358.4 |
| Relative PSA | 0.23153 |
| PolarSurfaceArea | 88 |
| Druglikeness | 3.2985 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 10 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
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