17-[(Z)-(3-bromophenyl)methylideneamino]-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:C25H15N6OBr
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
17-[(Z)-(3-bromophenyl)methylideneamino]-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 not a drug-like molecule.
| MolName | 17-[(Z)-(3-bromophenyl)methylideneamino]-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 | C25H15N6OBr |
| Smiles | O=C(c(c1nc2ccccc2nc1n1/N=C\c2cccc(Br)c2)c1N=C1)N1c1ccccc1 |
| InChI | InChI=1S/C25H15BrN6O/c26-17-8-6-7-16(13-17)14-28-32-23-21(22-24(32)30-20-12-5-4-11-19(20)29-22)25(33)31(15-27-23)18-9-2-1-3-10-18/h1-15H |
| InChIK | VMXVTRPZHZPTGE-UHFFFAOYSA-N |
| TotalMolweight | 495.339 |
| Molweight | 495.339 |
| MonoisotopicMass | 494.04907 |
| CLogP | 5.0669 |
| CLogS | -9.861 |
| H Acceptors | 7 |
| TotalSurfaceArea | 331.4 |
| Relative PSA | 0.20646 |
| PolarSurfaceArea | 75.74 |
| Druglikeness | 4.0554 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 17-[(Z)-(3-bromophenyl)methylideneamino]-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)-(3-bromophenyl)methylideneamino]-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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