Alternatived Products of [ 1351635-67-0 ]
Product Details of [ 1351635-67-0 ]
CAS No. : | 1351635-67-0 |
MDL No. : | MFCD29049511 |
Formula : |
C25H24N6O3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | KSUDUUBCXJUFRL-SFHVURJKSA-N |
M.W : |
456.50
|
Pubchem ID : | 89455219 |
Synonyms : |
GS-4059 analog;ONO-WG-307;ONO-4059 analogue
|
Calculated chemistry of [ 1351635-67-0 ]
Physicochemical Properties
Num. heavy atoms : |
34 |
Num. arom. heavy atoms : |
21 |
Fraction Csp3 : |
0.2 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
133.38 |
TPSA : |
108.27 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.01 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.67 |
Log Po/w (XLOGP3) : |
2.92 |
Log Po/w (WLOGP) : |
2.93 |
Log Po/w (MLOGP) : |
2.66 |
Log Po/w (SILICOS-IT) : |
1.69 |
Consensus Log Po/w : |
2.78 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-4.57 |
Solubility : |
0.0123 mg/ml ; 0.0000269 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-4.85 |
Solubility : |
0.00638 mg/ml ; 0.000014 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-5.6 |
Solubility : |
0.00116 mg/ml ; 0.00000254 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.92 |
Safety of [ 1351635-67-0 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H302 |
Packing Group: | N/A |
GHS Pictogram: |
|