N-Descyclopropanecarbaldehyde Olaparib

Name: N-Descyclopropanecarbaldehyde Olaparib
SKU: PI763111473
Rating: 5 (1 reviews)

Catalog NumberPI763111473

CAS Number763111-47-3

CategoryAntineoplastics Intermediates

Product Details

Synonyms	4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
Purity	97%
Molecular Formula	C20H19FN4O2
Molecular Weight	366.39
Molar Refractivity	107.8

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Other Identifiers

Pubchem ID	11726399
InChI Key	MFFUYEOGICAKCK-UHFFFAOYSA-N
MDL Number	MFCD18251631

Computed Properties

Aromatic Heavy Atoms Number	16
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.4
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.25
Ghose	None
GI Absorption	High
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.46 cm/s
Log Po/w (iLOGP)	2.57
Log Po/w (MLOGP)	2.7
Log Po/w (SILICOS-IT)	3.84
Log Po/w (WLOGP)	1.36
Log Po/w (XLOGP3)	1.52
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	4
Synthetic Accessibility	2.86
Topological Polar Surface Area	78.09 Å²
Veber	0.0

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