17-[(4-methoxyphenyl)methyl]-13-(2-methylpropyl)-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:C24H23N5O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
17-[(4-methoxyphenyl)methyl]-13-(2-methylpropyl)-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-[(4-methoxyphenyl)methyl]-13-(2-methylpropyl)-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 | C24H23N5O2 |
| Smiles | CC(C)CN(C=Nc1c2c3nc4ccccc4nc3n1Cc(cc1)ccc1OC)C2=O |
| InChI | InChI=1S/C24H23N5O2/c1-15(2)12-28-14-25-22-20(24(28)30)21-23(27-19-7-5-4-6-18(19)26-21)29(22)13-16-8-10-17(31-3)11-9-16/h4-11,14-15H,12-13H2,1-3H3 |
| InChIK | ILGTZFWDRDQYEA-UHFFFAOYSA-N |
| TotalMolweight | 413.48 |
| Molweight | 413.48 |
| MonoisotopicMass | 413.185175 |
| CLogP | 3.547 |
| CLogS | -4.639 |
| H Acceptors | 7 |
| TotalSurfaceArea | 315.05 |
| Relative PSA | 0.21238 |
| PolarSurfaceArea | 72.61 |
| Druglikeness | -0.90167 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 17-[(4-methoxyphenyl)methyl]-13-(2-methylpropyl)-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-[(4-methoxyphenyl)methyl]-13-(2-methylpropyl)-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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