Dasabuvir

Cat. No.: PI1132935637

Product Details Other Identifiers Computed Properties

CAS	1132935-63-7
Synonyms	N-(6-(3-(tert-Butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide
Purity	98%
Molecular Formula	C26H27N3O5S
Molecular Weight	493.57
Molar Refractivity	139.63

Pubchem ID	56640146
InChI Key	NBRBXGKOEOGLOI-UHFFFAOYSA-N
MDL Number	MFCD27923655

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	6
Topological Polar Surface Area	118.64 Å²
Heavy Atom Count	35
Aromatic Heavy Atoms Number	22
Fraction Csp3	0.23
Log Po/w (iLOGP)	2.89
Log Po/w (XLOGP3)	4.25
Log Po/w (WLOGP)	4.91
Log Po/w (MLOGP)	2.33
Log Po/w (SILICOS-IT)	4.2
Consensus Log Po/w	3.72
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.29 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	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.46

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