Inarigivir soproxil

Cat. No.: PI942123435

Product Details Other Identifiers Computed Properties

CAS	942123-43-5
Synonyms	(((((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methoxy)(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl)oxy)phosphoryl)thio)methyl isopropyl carbonate
Purity	min. 98%
Molecular Formula	C25H34N7O13PS
Molecular Weight	703.62
Molar Refractivity	161.29

MDL Number

MFCD31715418

Hydrogen Bond Donor Count	4.0
Hydrogen Bond Acceptor Count	16.0
Rotatable Bond Count	15
Topological Polar Surface Area	298.8 Å²
Heavy Atom Count	47
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.6
Log Po/w (iLOGP)	3.32
Log Po/w (XLOGP3)	-1.78
Log Po/w (WLOGP)	-0.37
Log Po/w (MLOGP)	-2.89
Log Po/w (SILICOS-IT)	-3.03
Consensus Log Po/w	-0.95
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-11.86 cm/s
Lipinski	2.0
Ghose	None
Veber	2.0
Egan	1.0
Muegge	3.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	2.0
Synthetic Accessibility	6.79

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