Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Cat. No.: PI100491290

Product Details Other Identifiers Computed Properties

CAS	100491-29-0
Purity	97%
Molecular Formula	C17H10ClF3N2O3
Molecular Weight	382.72
Molar Refractivity	88.31

Pubchem ID	1268243
InChI Key	JLSXYCZRMYCIMY-UHFFFAOYSA-N
MDL Number	MFCD01863285

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	4
Topological Polar Surface Area	61.19 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	16
Fraction Csp3	0.12
Log Po/w (iLOGP)	3.18
Log Po/w (XLOGP3)	4.05
Log Po/w (WLOGP)	4.89
Log Po/w (MLOGP)	3.54
Log Po/w (SILICOS-IT)	4.73
Consensus Log Po/w	4.08
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
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	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	2.67

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