Presatovir

Name: Presatovir
SKU: PI1353625736
Rating: 5 (1 reviews)

Cat. No.: PI1353625736

Product Details Other Identifiers Computed Properties

CAS	1353625-73-6
Synonyms	N-(2-((S)-2-(5-((S)-3-Aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl)-4-chlorophenyl)methanesulfonamide
Purity	98%
Molecular Formula	C24H30ClN7O3S
Molecular Weight	532.06
Molar Refractivity	147.19

Pubchem ID	58029842
InChI Key	GOFXWTVKPWJNGD-UWJYYQICSA-N
MDL Number	MFCD28963961

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	6
Topological Polar Surface Area	134.31 Å²
Heavy Atom Count	36
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.46
Log Po/w (iLOGP)	3.34
Log Po/w (XLOGP3)	2.42
Log Po/w (WLOGP)	2.77
Log Po/w (MLOGP)	2.1
Log Po/w (SILICOS-IT)	0.75
Consensus Log Po/w	2.28
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.83 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	1.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	4.58

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