Mutated EGFR-IN-1

Mutated EGFR-IN-1

Cat. No.: PI1421372668

Mutated EGFR-IN-1
Product Details Other Identifiers Computed Properties
CAS 1421372-66-8
Synonyms N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)benzene-1,2,4-triamine
Purity 98%
Molecular Formula C25H31N7O
Molecular Weight 445.56
Molar Refractivity 136.19
Pubchem ID 78358313
InChI Key HTNTZPBKKCORTP-UHFFFAOYSA-N
MDL Number MFCD28167800
Hydrogen Bond Donor Count 2.0
Hydrogen Bond Acceptor Count 4.0
Rotatable Bond Count 8
Topological Polar Surface Area 84.47 Ų
Heavy Atom Count 33
Aromatic Heavy Atoms Number 21
Fraction Csp3 0.28
Log Po/w (iLOGP) 3.66
Log Po/w (XLOGP3) 3.27
Log Po/w (WLOGP) 3.98
Log Po/w (MLOGP) 1.62
Log Po/w (SILICOS-IT) 2.12
Consensus Log Po/w 2.93
GI Absorption High
BBB Permeant No
P-gp Substrate Yes
CYP1A2Inhibitor Yes
CYP2C19Inhibitor Yes
CYP2C9Inhibitor Yes
CYP2D6Inhibitor Yes
CYP3A4Inhibitor Yes
Log Kp (Skin Permeation) -6.7 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 1.0 alert
Leadlikeness 2.0
Synthetic Accessibility 3.67

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