compound 1 [PMID: 24793884]   Click here for help

GtoPdb Ligand ID: 8218

Compound class: Synthetic organic
Comment: Compound 1 is one of the analogues assessed in [1] as a potential cell division cycle 7 (cdc7) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 100.55
Molecular weight 250.04
XLogP 1.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)c1sc(nc1O)c1ccncc1
Isomeric SMILES CCOC(=O)c1sc(nc1O)c1ccncc1
InChI InChI=1S/C11H10N2O3S/c1-2-16-11(15)8-9(14)13-10(17-8)7-3-5-12-6-4-7/h3-6,14H,2H2,1H3
InChI Key SHVRAFGUKKOKIO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl 4-hydroxy-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
Database Links Click here for help
ChEMBL Ligand CHEMBL3261228
GtoPdb PubChem SID 249565898
PubChem CID 54306423
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