Alternatived Products of [ 372196-77-5 ]
Product Details of [ 372196-77-5 ]
CAS No. : | 372196-77-5 |
MDL No. : | MFCD12546130 |
Formula : |
C16H15BrClN5O4S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
488.74
|
Pubchem ID : | - |
Synonyms : |
PIK-75;PIK-75 (hydrochloride);PIK-75 hydrochloride
|
Chemical Name : | N'-((6-Bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride |
Calculated chemistry of [ 372196-77-5 ]
Physicochemical Properties
Num. heavy atoms : |
28 |
Num. arom. heavy atoms : |
15 |
Fraction Csp3 : |
0.12 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
112.61 |
TPSA : |
121.24 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-6.04 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
4.56 |
Log Po/w (WLOGP) : |
4.85 |
Log Po/w (MLOGP) : |
1.32 |
Log Po/w (SILICOS-IT) : |
-0.21 |
Consensus Log Po/w : |
2.1 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.81 |
Solubility : |
0.000758 mg/ml ; 0.00000155 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-6.83 |
Solubility : |
0.0000724 mg/ml ; 0.000000148 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-4.84 |
Solubility : |
0.00711 mg/ml ; 0.0000146 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.3 |
Safety of [ 372196-77-5 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H302 |
Packing Group: | N/A |
GHS Pictogram: |
|