CAS RN: 1032823-75-8

GSK1292263

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  • Product code: starshine_CAS1032823-75-8
  • Purity/Analytical Methods: >99.0%
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1032823-75-8 / 5-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

GSK1292263 | GSK-1292263 | GSK-1292263A

Standard CAS: 1032823-75-8 Multi CAS: Yes

Basic Information

CAS
1032823-75-8
Multi CAS
Yes
Molecular Formula
C23H28N4O4S
Molecular Weight
456.600000
Exact Mass
456.183127
SMILES
CC(C)C1=NOC(=N1)N2CCC(CC2)COC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C
InChI
InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3
InChIKey
AYJRTVVIBJSSKN-UHFFFAOYSA-N
Synonyms
GSK1292263 GSK-1292263 GSK-1292263A GSK 1292263 GSK-263A

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
121.6
TPSA
98.42

LogP / Solubility

WLOGP
3.95
MLOGP
3.51
XLogP3
4
Consensus LogP
3.82
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble

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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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