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CAS 1206163-45-2 GLPG-0778 molecular structure lightbox
CAS RN: 1206163-45-2

GLPG-0778

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1206163-45-2
  • Purity/Analytical Methods: >99.0%
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1206163-45-2 / N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

Solcitinib | GLPG-0778 | GLPG0778

Standard CAS: 1206163-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206163-45-2
Multi CAS
No
Molecular Formula
C22H23N5O2
Molecular Weight
389.400000
Exact Mass
389.185175
SMILES
CC1(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)NC(=O)C5CC5)C
InChI
InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
InChIKey
MPYACSQFXVMWNO-UHFFFAOYSA-N
Synonyms
Solcitinib GLPG-0778 GLPG0778 GSK2586184A GSK-2586184

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.46
TPSA
79.6

LogP / Solubility

WLOGP
3.23
MLOGP
2.86
XLogP3
2.8
Consensus LogP
2.96
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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