Alternatived Products of [ 1223001-51-1 ]
Product Details of [ 1223001-51-1 ]
CAS No. : 1223001-51-1
MDL No. : MFCD18782652
Formula :
C24 H15 F3 N4 O
Boiling Point :
-
Linear Structure Formula : -
InChI Key : GUXXEUUYCAYESJ-UHFFFAOYSA-N
M.W :
432.40
Pubchem ID : 51358113
Synonyms :
Calculated chemistry of [ 1223001-51-1 ]
Physicochemical Properties
Num. heavy atoms :
32
Num. arom. heavy atoms :
26
Fraction Csp3 :
0.04
Num. rotatable bonds :
3
Num. H-bond acceptors :
6.0
Num. H-bond donors :
1.0
Molar Refractivity :
117.48
TPSA :
73.8 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-5.79 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.56
Log Po/w (XLOGP3) :
4.44
Log Po/w (WLOGP) :
6.36
Log Po/w (MLOGP) :
3.99
Log Po/w (SILICOS-IT) :
4.8
Consensus Log Po/w :
4.43
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
0.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-5.72
Solubility :
0.000821 mg/ml ; 0.0000019 mol/l
Class :
Moderately soluble
Log S (Ali) :
-5.71
Solubility :
0.000846 mg/ml ; 0.00000196 mol/l
Class :
Moderately soluble
Log S (SILICOS-IT) :
-9.17
Solubility :
0.000000294 mg/ml ; 0.0000000007 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
2.91
Safety of [ 1223001-51-1 ]