Sonidegib diphosphate

Name: Sonidegib diphosphate
SKU: PI1218778778
Rating: 5 (1 reviews)

Catalog NumberPI1218778778

CAS Number1218778-77-8

CategoryAntineoplastics Intermediates

Product Details

Synonyms	rel-N-(6-((2R,6S)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide bis(phosphate)
Purity	min. 98%
Molecular Formula	C26H32F3N3O11P2
Molecular Weight	681.49
Molar Refractivity	159.4

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Other Identifiers

Pubchem ID	45138699
InChI Key	RWIVSVMMGFFZIJ-VWDRLOGHSA-N
MDL Number	MFCD16627994

Computed Properties

Aromatic Heavy Atoms Number	18
BBB Permeant	No
Bioavailability Score	0.17
Brenk	1.0 alert
Consensus Log Po/w	2.64
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.31
Ghose	None
GI Absorption	Low
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	15.0
Hydrogen Bond Donor Count	7.0
Leadlikeness	1.0
Lipinski	3.0
Log Kp (Skin Permeation)	-9.3 cm/s
Log Po/w (iLOGP)	1.82
Log Po/w (MLOGP)	0.21
Log Po/w (SILICOS-IT)	4.88
Log Po/w (WLOGP)	4.65
Log Po/w (XLOGP3)	1.63
Muegge	4.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	7
Synthetic Accessibility	4.88
Topological Polar Surface Area	238.83 Å²
Veber	1.0

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