Importazole

Introduction

CAS No. :	662163-81-7	MDL No. :	MFCD04077630
Formula :	C20H22N4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HKGJEZIGDHFJFL-UHFFFAOYSA-N
M.W :	318.42	Pubchem ID :	2949965
Synonyms :	IPZ

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	16
Fraction Csp3 :	0.3
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	102.78
TPSA :	41.05 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.19
Log Po/w (XLOGP3) :	4.7
Log Po/w (WLOGP) :	3.51
Log Po/w (MLOGP) :	3.83
Log Po/w (SILICOS-IT) :	3.52
Consensus Log Po/w :	3.75

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.0
Solubility :	0.00315 mg/ml ; 0.0000099 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.29
Solubility :	0.00163 mg/ml ; 0.00000512 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.76
Solubility :	0.0000556 mg/ml ; 0.000000175 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.95

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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