Taladegib

Name: Taladegib
SKU: PI1258861209
Rating: 5 (1 reviews)

Catalog NumberPI1258861209

CAS Number1258861-20-9

CategoryAntineoplastics Intermediates

Product Details

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

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Other Identifiers

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

Computed Properties

Aromatic Heavy Atoms Number	21
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	4.42
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Egan	1.0
Fraction Csp3	0.31
Ghose	None
GI Absorption	High
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	8.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	1.0
Log Kp (Skin Permeation)	-6.41 cm/s
Log Po/w (iLOGP)	3.65
Log Po/w (MLOGP)	4.03
Log Po/w (SILICOS-IT)	4.05
Log Po/w (WLOGP)	6.12
Log Po/w (XLOGP3)	4.25
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	6
Synthetic Accessibility	3.89
Topological Polar Surface Area	67.15 Å²
Veber	0.0

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