Alternatived Products of [ 923564-51-6 ]
Product Details of [ 923564-51-6 ]
CAS No. : | 923564-51-6 |
MDL No. : | MFCD12756219 |
Formula : |
C47H55ClF3N5O6S3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | JLYAXFNOILIKPP-KXQOOQHDSA-N |
M.W : |
974.61
|
Pubchem ID : | 24978538 |
Synonyms : |
ABT-263;A-855071
|
Calculated chemistry of [ 923564-51-6 ]
Physicochemical Properties
Num. heavy atoms : |
65 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.43 |
Num. rotatable bonds : |
18 |
Num. H-bond acceptors : |
11.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
262.67 |
TPSA : |
170.42 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-5.44 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
6.53 |
Log Po/w (XLOGP3) : |
9.58 |
Log Po/w (WLOGP) : |
10.92 |
Log Po/w (MLOGP) : |
4.4 |
Log Po/w (SILICOS-IT) : |
7.41 |
Consensus Log Po/w : |
7.77 |
Druglikeness
Lipinski : |
3.0 |
Ghose : |
None |
Veber : |
2.0 |
Egan : |
2.0 |
Muegge : |
5.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-11.0 |
Solubility : |
0.0000000097 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-13.07 |
Solubility : |
0.0000000001 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-14.6 |
Solubility : |
0.0 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
6.88 |
Safety of [ 923564-51-6 ]