Vercirnon

Name: Vercirnon
SKU: PI698394739
Rating: 5 (1 reviews)

Cat. No.: PI698394739

Product Details Other Identifiers Computed Properties

CAS	698394-73-9
Synonyms	4-(2-((4-(tert-Butyl)phenyl)sulfonamido)-5-chlorobenzoyl)pyridine 1-oxide
Purity	98%
Molecular Formula	C22H21ClN2O4S
Molecular Weight	444.93
Molar Refractivity	118.87

Pubchem ID	10343454
InChI Key	JRWROCIMSDXGOZ-UHFFFAOYSA-N
MDL Number	MFCD28137610

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	6
Topological Polar Surface Area	97.08 Å²
Heavy Atom Count	30
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.18
Log Po/w (iLOGP)	2.29
Log Po/w (XLOGP3)	4.58
Log Po/w (WLOGP)	5.19
Log Po/w (MLOGP)	3.0
Log Po/w (SILICOS-IT)	3.16
Consensus Log Po/w	3.64
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.76 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	1.0 alert
Brenk	2.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.36

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