3-[(Z)-anthracen-9-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Formula:C25H16N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-anthracen-9-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one is a drug-like molecule.
| MolName | 3-[(Z)-anthracen-9-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-4-one |
| MolecularFormula | C25H16N4O |
| Smiles | O=C(c([nH]c1c2cccc1)c2N=C1)N1/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C25H16N4O/c30-25-24-23(20-11-5-6-12-22(20)28-24)26-15-29(25)27-14-21-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)21/h1-15,28H |
| InChIK | BRMXIJJUKRDZDN-UHFFFAOYSA-N |
| TotalMolweight | 388.429 |
| Molweight | 388.429 |
| MonoisotopicMass | 388.132411 |
| CLogP | 4.9542 |
| CLogS | -7.56 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.46 |
| Relative PSA | 0.18453 |
| PolarSurfaceArea | 60.82 |
| Druglikeness | 5.2824 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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