Alternatived Products of [ 483367-10-8 ]
Product Details of [ 483367-10-8 ]
CAS No. : | 483367-10-8 |
MDL No. : | MFCD09037557 |
Formula : |
C31H32N6O2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | FYBHCRQFSFYWPY-UHFFFAOYSA-N |
M.W : |
520.62
|
Pubchem ID : | 5284329 |
Synonyms : |
Shh Signaling Antagonist VI
|
Calculated chemistry of [ 483367-10-8 ]
Physicochemical Properties
Num. heavy atoms : |
39 |
Num. arom. heavy atoms : |
25 |
Fraction Csp3 : |
0.32 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
157.8 |
TPSA : |
77.33 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-4.86 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.73 |
Log Po/w (XLOGP3) : |
6.5 |
Log Po/w (WLOGP) : |
6.48 |
Log Po/w (MLOGP) : |
3.71 |
Log Po/w (SILICOS-IT) : |
4.06 |
Consensus Log Po/w : |
5.1 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-7.24 |
Solubility : |
0.0000299 mg/ml ; 0.0000000574 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-7.92 |
Solubility : |
0.00000626 mg/ml ; 0.000000012 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-9.26 |
Solubility : |
0.000000284 mg/ml ; 0.0000000005 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
1.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.29 |
Safety of [ 483367-10-8 ]