17-[(Z)-furan-2-ylmethylideneamino]-13-(2-phenylethyl)-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:C25H18N6O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
17-[(Z)-furan-2-ylmethylideneamino]-13-(2-phenylethyl)-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)-furan-2-ylmethylideneamino]-13-(2-phenylethyl)-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 | C25H18N6O2 |
| Smiles | O=C1N(CCc2ccccc2)C=Nc2c1c1nc3ccccc3nc1n2/N=C\c1ccco1 |
| InChI | InChI=1S/C25H18N6O2/c32-25-21-22-24(29-20-11-5-4-10-19(20)28-22)31(27-15-18-9-6-14-33-18)23(21)26-16-30(25)13-12-17-7-2-1-3-8-17/h1-11,14-16H,12-13H2 |
| InChIK | UTQVWWJJPWKYEK-UHFFFAOYSA-N |
| TotalMolweight | 434.458 |
| Molweight | 434.458 |
| MonoisotopicMass | 434.149124 |
| CLogP | 3.8834 |
| CLogS | -8.299 |
| H Acceptors | 8 |
| TotalSurfaceArea | 329.98 |
| Relative PSA | 0.25011 |
| PolarSurfaceArea | 88.88 |
| Druglikeness | 6.6543 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 17-[(Z)-furan-2-ylmethylideneamino]-13-(2-phenylethyl)-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)-furan-2-ylmethylideneamino]-13-(2-phenylethyl)-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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