(3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate

Name: (3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
SKU: PI134395009
Rating: 5 (1 reviews)

Cat. No.: PI134395009

Product Details Other Identifiers Computed Properties

CAS	134395-00-9
Purity	98%
Molecular Formula	C37H43FN2O5
Molecular Weight	614.75
Molar Refractivity	177.03

Pubchem ID	11238911
InChI Key	GCPKKGVOCBYRML-LOYHVIPDSA-N
MDL Number	MFCD09839952

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	15
Topological Polar Surface Area	100.79 Å²
Heavy Atom Count	45
Aromatic Heavy Atoms Number	23
Fraction Csp3	0.35
Log Po/w (iLOGP)	5.09
Log Po/w (XLOGP3)	6.27
Log Po/w (WLOGP)	7.8
Log Po/w (MLOGP)	4.2
Log Po/w (SILICOS-IT)	7.64
Consensus Log Po/w	6.2
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.6 cm/s
Lipinski	2.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	2.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	3.0
Synthetic Accessibility	5.48

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