Closantel

Cat. No.: PI57808658

Product Details Other Identifiers Computed Properties

CAS	57808-65-8
Synonyms	N-(5-Chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamide
Purity	min. 99%
Molecular Formula	C22H14Cl2I2N2O2
Molecular Weight	663.07
Molar Refractivity	137.11

Pubchem ID	42574
InChI Key	JMPFSEBWVLAJKM-UHFFFAOYSA-N
MDL Number	MFCD00661151

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	5
Topological Polar Surface Area	73.12 Å²
Heavy Atom Count	30
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.09
Log Po/w (iLOGP)	3.63
Log Po/w (XLOGP3)	7.22
Log Po/w (WLOGP)	6.93
Log Po/w (MLOGP)	5.71
Log Po/w (SILICOS-IT)	7.56
Consensus Log Po/w	6.21
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.22 cm/s
Lipinski	2.0
Ghose	None
Veber	0.0
Egan	1.0
Muegge	2.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.22

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