Velpatasvir

Cat. No.: PI1377049847

Product Details Other Identifiers Computed Properties

CAS	1377049-84-7
Synonyms	Methyl ((2S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((2R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Purity	99%
Molecular Formula	C49H54N8O8
Molecular Weight	883.00
Molar Refractivity	251.54

Pubchem ID	67683363
InChI Key	FHCUMDQMBHQXKK-CDIODLITSA-N
MDL Number	MFCD28411371

Hydrogen Bond Donor Count	4.0
Hydrogen Bond Acceptor Count	10.0
Rotatable Bond Count	17
Topological Polar Surface Area	193.1 Å²
Heavy Atom Count	65
Aromatic Heavy Atoms Number	30
Fraction Csp3	0.39
Log Po/w (iLOGP)	4.9
Log Po/w (XLOGP3)	6.16
Log Po/w (WLOGP)	5.84
Log Po/w (MLOGP)	1.7
Log Po/w (SILICOS-IT)	6.28
Consensus Log Po/w	4.98
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-7.31 cm/s
Lipinski	2.0
Ghose	None
Veber	2.0
Egan	1.0
Muegge	5.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	7.49

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