13-phenyl-17-[(Z)-pyridin-4-ylmethylideneamino]-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:C24H15N7O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
13-phenyl-17-[(Z)-pyridin-4-ylmethylideneamino]-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 | 13-phenyl-17-[(Z)-pyridin-4-ylmethylideneamino]-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 | C24H15N7O |
| Smiles | O=C(c(c1nc2ccccc2nc1n1/N=C\c2ccncc2)c1N=C1)N1c1ccccc1 |
| InChI | InChI=1S/C24H15N7O/c32-24-20-21-23(29-19-9-5-4-8-18(19)28-21)31(27-14-16-10-12-25-13-11-16)22(20)26-15-30(24)17-6-2-1-3-7-17/h1-15H |
| InChIK | MIKPWGHCRIONHN-UHFFFAOYSA-N |
| TotalMolweight | 417.431 |
| Molweight | 417.431 |
| MonoisotopicMass | 417.133808 |
| CLogP | 3.3408 |
| CLogS | -8.232 |
| H Acceptors | 8 |
| TotalSurfaceArea | 311.53 |
| Relative PSA | 0.25484 |
| PolarSurfaceArea | 88.63 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 13-phenyl-17-[(Z)-pyridin-4-ylmethylideneamino]-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 - 13-phenyl-17-[(Z)-pyridin-4-ylmethylideneamino]-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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