Taladegib

Cat. No.: PI1258861209

Product Details Other Identifiers Computed Properties

CAS	1258861-20-9
Synonyms	4-Fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide
Purity	min. 98%
Molecular Formula	C26H24F4N6O
Molecular Weight	512.50
Molar Refractivity	133.85

Pubchem ID	49848070
InChI Key	SZBGQDXLNMELTB-UHFFFAOYSA-N
MDL Number	MFCD21609264

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	8.0
Rotatable Bond Count	6
Topological Polar Surface Area	67.15 Å²
Heavy Atom Count	37
Aromatic Heavy Atoms Number	21
Fraction Csp3	0.31
Log Po/w (iLOGP)	3.65
Log Po/w (XLOGP3)	4.25
Log Po/w (WLOGP)	6.12
Log Po/w (MLOGP)	4.03
Log Po/w (SILICOS-IT)	4.05
Consensus Log Po/w	4.42
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.41 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	2.0
Synthetic Accessibility	3.89

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