Alternatived Products of [ 862507-23-1 ]
Product Details of [ 862507-23-1 ]
CAS No. : | 862507-23-1 |
MDL No. : | MFCD22572532 |
Formula : |
C26H37FN6O6S2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | NARMJPIBAXVUIE-UHFFFAOYSA-N |
M.W : |
612.74
|
Pubchem ID : | 11570805 |
Synonyms : |
|
Chemical Name : | 5-(2-(tert-Butyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)-3-neopentyl-3H-imidazo[4,5-b]pyridin-2-amine dimethanesulfonate |
Calculated chemistry of [ 862507-23-1 ]
Physicochemical Properties
Num. heavy atoms : |
41 |
Num. arom. heavy atoms : |
20 |
Fraction Csp3 : |
0.42 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
10.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
159.32 |
TPSA : |
210.91 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.52 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.46 |
Log Po/w (XLOGP3) : |
3.55 |
Log Po/w (WLOGP) : |
7.15 |
Log Po/w (MLOGP) : |
2.14 |
Log Po/w (SILICOS-IT) : |
5.17 |
Consensus Log Po/w : |
3.9 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
2.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-5.91 |
Solubility : |
0.00076 mg/ml ; 0.00000124 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-7.66 |
Solubility : |
0.0000133 mg/ml ; 0.0000000217 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-8.23 |
Solubility : |
0.00000357 mg/ml ; 0.0000000058 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.54 |
Safety of [ 862507-23-1 ]