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CAS 75689-93-9 Imanixil molecular structure lightbox
CAS RN: 75689-93-9

Imanixil

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  • Product code: starshine_CAS75689-93-9
  • Purity/Analytical Methods: >99.0%
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75689-93-9 / 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

Standard CAS: 75689-93-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75689-93-9
Multi CAS
Yes
Molecular Formula
C17F3H17N6O2
Molecular Weight
394.400000
Exact Mass
394.136508
InChI
InChI=1S/C17H17F3N6O2/c1-16(2)8-26(15(28)25-16)14-22-7-11(12(21)24-14)13(27)23-10-5-3-4-9(6-10)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,27)(H,25,28)(H2,21,22,24)
InChIKey
FUSNOPLQVRUIIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.8
TPSA
113.24

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
2
Consensus LogP
2.33
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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