Daclatasvir 2HCl

Name: Daclatasvir 2HCl
SKU: PI1009119656
Rating: 5 (1 reviews)

Catalog NumberPI1009119656

CAS Number1009119-65-6

CategoryAntivirals Intermediates

Product Details

Synonyms	Methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate dihydrochloride
Purity	min. 98%
Molecular Formula	C40H52Cl2N8O6
Molecular Weight	811.80
Molar Refractivity	225.79

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Other Identifiers

Pubchem ID	25154713
InChI Key	BVZLLUDATICXCI-JMSCDMLISA-N
MDL Number	MFCD25541736

Computed Properties

Aromatic Heavy Atoms Number	22
BBB Permeant	No
Bioavailability Score	0.17
Brenk	1.0 alert
Consensus Log Po/w	3.98
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	2.0
Fraction Csp3	0.45
Ghose	None
GI Absorption	Low
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	8.0
Hydrogen Bond Donor Count	4.0
Leadlikeness	3.0
Lipinski	2.0
Log Kp (Skin Permeation)	-6.5 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.56
Log Po/w (SILICOS-IT)	5.22
Log Po/w (WLOGP)	6.42
Log Po/w (XLOGP3)	6.69
Muegge	4.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	17
Synthetic Accessibility	6.51
Topological Polar Surface Area	174.64 Å²
Veber	2.0

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