(15R,19S)-17-(4-bromo-2-ethylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Formula:C26H20NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(15R,19S)-17-(4-bromo-2-ethylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is a drug-like molecule.
| MolName | (15R,19S)-17-(4-bromo-2-ethylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| MolecularFormula | C26H20NO2Br |
| Smiles | CCc(cc(cc1)Br)c1N(C([C@H]([C@H]1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O |
| InChI | InChI=1S/C26H20BrNO2/c1-2-14-13-15(27)11-12-20(14)28-25(29)23-21-16-7-3-4-8-17(16)22(24(23)26(28)30)19-10-6-5-9-18(19)21/h3-13,21-24H,2H2,1H3/t21?,22?,23-,24+ |
| InChIK | VQNJHVFBMJDRGY-ULBZPVTCSA-N |
| TotalMolweight | 458.354 |
| Molweight | 458.354 |
| MonoisotopicMass | 457.06774 |
| CLogP | 4.4247 |
| CLogS | -6.355 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.73 |
| Relative PSA | 0.10122 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 0.57125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | meso |
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1 - (15R,19S)-17-(4-bromo-2-ethylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | 2 - (15R,19S)-17-(4-bromo-2-ethylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
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