compound 14i [PMID: 37204466]   Click here for help

GtoPdb Ligand ID: 12746

Compound class: Synthetic organic
Comment: This compound is an inhibitor of the oncology drug target S-phase kinase-associated protein 2 (Skp2) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 57.06
Molecular weight 406.91
XLogP 3.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)N4CCC(CC4)NC(=O)CCl
Isomeric SMILES O=C(CCl)NC1CCN(CC1)C2=NC(C3=CC=CC=C3)=C(C4=CC=CC=C4)N=C2
InChI InChI=1S/C23H23ClN4O/c24-15-21(29)26-19-11-13-28(14-12-19)20-16-25-22(17-7-3-1-4-8-17)23(27-20)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,26,29)
InChI Key MKWLNXUIWPRODH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-chloro-N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]acetamide
Database Links Click here for help
GtoPdb PubChem SID 483123294
PubChem CID 162718203
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