Alternatived Products of [ 1380432-32-5 ]
Product Details of [ 1380432-32-5 ]
CAS No. : | 1380432-32-5 |
MDL No. : | MFCD23143628 |
Formula : |
C25H30N6O
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | AFTZZRFCMOAFCR-UHFFFAOYSA-N |
M.W : |
430.55
|
Pubchem ID : | 51031035 |
Synonyms : |
|
Chemical Name : | N4-(9-Ethyl-9H-carbazol-3-yl)-N2-(3-morpholinopropyl)pyrimidine-2,4-diamine |
Calculated chemistry of [ 1380432-32-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
32 |
Num. arom. heavy atoms : |
19 |
Fraction Csp3 : |
0.36 |
Num. rotatable bonds : |
8 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
134.58 |
TPSA : |
67.24 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-5.99 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.24 |
Log Po/w (XLOGP3) : |
4.13 |
Log Po/w (WLOGP) : |
3.91 |
Log Po/w (MLOGP) : |
2.58 |
Log Po/w (SILICOS-IT) : |
3.27 |
Consensus Log Po/w : |
3.43 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.02 |
Solubility : |
0.00409 mg/ml ; 0.00000949 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-5.25 |
Solubility : |
0.00243 mg/ml ; 0.00000564 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-8.1 |
Solubility : |
0.00000345 mg/ml ; 0.000000008 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
3.6 |
Safety of [ 1380432-32-5 ]