GSK'547   Click here for help

GtoPdb Ligand ID: 11274

Synonyms: example 6 [WO2020044206A1] | GSK-547 | GSK547
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GSK'547 is a RIP kinase 1 (RIPK1) inhibitor [2-3]. It was investigated for anti-cancer potential, but the development program was terminated.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 85.48
Molecular weight 396.15
XLogP 3.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ncnc(c1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(c1)F
Isomeric SMILES N#Cc1ncnc(c1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(c1)F
InChI InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1
InChI Key SJVGFKBLUYAEOK-SFHVURJKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
Synonyms Click here for help
example 6 [WO2020044206A1] | GSK-547 | GSK547
Database Links Click here for help
CAS Registry No. 2226735-55-1 (source: PubChem)
GtoPdb PubChem SID 434321709
PubChem CID 134521814
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