Cat. No.: PI1341224836
| CAS | 1341224-83-6 |
| Synonyms | PF-4136309 |
| Purity | 98% |
| Molecular Formula | C29H31F3N6O3 |
| Molecular Weight | 568.59 |
| Molar Refractivity | 147.25 |
| Pubchem ID | 11192346 |
| InChI Key | ZNSVOHSYDRPBGI-CBQRAPNFSA-N |
| MDL Number | MFCD22124474 |
| Hydrogen Bond Donor Count | 3.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 120.34 Ų |
| Heavy Atom Count | 41 |
| Aromatic Heavy Atoms Number | 18 |
| Fraction Csp3 | 0.41 |
| Log Po/w (iLOGP) | 3.83 |
| Log Po/w (XLOGP3) | 2.22 |
| Log Po/w (WLOGP) | 3.97 |
| Log Po/w (MLOGP) | 1.53 |
| Log Po/w (SILICOS-IT) | 3.74 |
| Consensus Log Po/w | 3.06 |
| GI Absorption | High |
| BBB Permeant | No |
| P-gp Substrate | Yes |
| CYP1A2Inhibitor | No |
| CYP2C19Inhibitor | No |
| CYP2C9Inhibitor | No |
| CYP2D6Inhibitor | Yes |
| CYP3A4Inhibitor | Yes |
| Log Kp (Skin Permeation) | -8.19 cm/s |
| Lipinski | 1.0 |
| Ghose | None |
| Veber | 0.0 |
| Egan | 0.0 |
| Muegge | 0.0 |
| Bioavailability Score | 0.55 |
| PAINS | 0.0 alert |
| Brenk | 0.0 alert |
| Leadlikeness | 2.0 |
| Synthetic Accessibility | 4.72 |
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