17-[(Z)-benzylideneamino]-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Formula:C25H16N6O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
17-[(Z)-benzylideneamino]-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is a drug-like molecule.
| MolName | 17-[(Z)-benzylideneamino]-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one |
| MolecularFormula | C25H16N6O |
| Smiles | O=C(c(c1nc2ccccc2nc1n1/N=C\c2ccccc2)c1N=C1)N1c1ccccc1 |
| InChI | InChI=1S/C25H16N6O/c32-25-21-22-24(29-20-14-8-7-13-19(20)28-22)31(27-15-17-9-3-1-4-10-17)23(21)26-16-30(25)18-11-5-2-6-12-18/h1-16H |
| InChIK | TXFDTSOMPRJRDH-UHFFFAOYSA-N |
| TotalMolweight | 416.443 |
| Molweight | 416.443 |
| MonoisotopicMass | 416.138559 |
| CLogP | 4.3417 |
| CLogS | -9.027 |
| H Acceptors | 7 |
| TotalSurfaceArea | 312.77 |
| Relative PSA | 0.21875 |
| PolarSurfaceArea | 75.74 |
| Druglikeness | 5.8454 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 17-[(Z)-benzylideneamino]-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one | 2 - 17-[(Z)-benzylideneamino]-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
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