HCV-IN-30

HCV-IN-30

Cat. No.: PI1007882236

Product Details Other Identifiers Computed Properties
CAS 1007882-23-6
Synonyms Bis(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)
Purity 95%
Molecular Formula C36H44N6O4
Molecular Weight 624.77
Molar Refractivity 186.7
Pubchem ID 24898407
InChI Key WPMTYMFNINZZHE-KYJUHHDHSA-N
MDL Number MFCD28404669
Hydrogen Bond Donor Count 2.0
Hydrogen Bond Acceptor Count 6.0
Rotatable Bond Count 11
Topological Polar Surface Area 116.44 Ų
Heavy Atom Count 46
Aromatic Heavy Atoms Number 22
Fraction Csp3 0.44
Log Po/w (iLOGP) 5.21
Log Po/w (XLOGP3) 5.64
Log Po/w (WLOGP) 6.87
Log Po/w (MLOGP) 2.86
Log Po/w (SILICOS-IT) 6.02
Consensus Log Po/w 5.32
GI Absorption Low
BBB Permeant No
P-gp Substrate Yes
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor Yes
CYP3A4Inhibitor Yes
Log Kp (Skin Permeation) -6.11 cm/s
Lipinski 1.0
Ghose None
Veber 1.0
Egan 1.0
Muegge 2.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 1.0 alert
Leadlikeness 3.0
Synthetic Accessibility 5.48

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