Alternatived Products of [ 371942-69-7 ]
Product Details of [ 371942-69-7 ]
CAS No. : | 371942-69-7 |
MDL No. : | MFCD16038303 |
Formula : |
C25H21N7O3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | YBPIBGNBHHGLEB-UHFFFAOYSA-N |
M.W : |
467.48
|
Pubchem ID : | 9956222 |
Synonyms : |
|
Chemical Name : | 6-Amino-N-(3-(4-morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenyl)nicotinamide |
Calculated chemistry of [ 371942-69-7 ]
Physicochemical Properties
Num. heavy atoms : |
35 |
Num. arom. heavy atoms : |
25 |
Fraction Csp3 : |
0.16 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
134.68 |
TPSA : |
132.29 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-7.41 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.08 |
Log Po/w (XLOGP3) : |
2.46 |
Log Po/w (WLOGP) : |
2.94 |
Log Po/w (MLOGP) : |
1.18 |
Log Po/w (SILICOS-IT) : |
2.47 |
Consensus Log Po/w : |
2.43 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-4.49 |
Solubility : |
0.0152 mg/ml ; 0.0000326 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-4.88 |
Solubility : |
0.00613 mg/ml ; 0.0000131 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-8.19 |
Solubility : |
0.000003 mg/ml ; 0.0000000064 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.76 |
Safety of [ 371942-69-7 ]