PLpro inhibitor

Cat. No.: PI1093070144

Product Details Other Identifiers Computed Properties

CAS	1093070-14-4
Synonyms	(R)-5-Acetamido-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamide
Purity	min. 98%
Molecular Formula	C22H22N2O2
Molecular Weight	346.42
Molar Refractivity	105.52

Pubchem ID	44235889
InChI Key	KGPYBLOBHQLIET-OAHLLOKOSA-N
MDL Number	MFCD12547684

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	6
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.18
Log Po/w (iLOGP)	3.05
Log Po/w (XLOGP3)	3.89
Log Po/w (WLOGP)	4.08
Log Po/w (MLOGP)	3.57
Log Po/w (SILICOS-IT)	4.41
Consensus Log Po/w	3.8
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.65 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	1.0
Synthetic Accessibility	2.7

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *