CZS-241   Click here for help

GtoPdb Ligand ID: 12396

Synonyms: compound B43 [PMID: 36734825] | CZS241
Compound class: Synthetic organic
Comment: CZS-241 is an inhbitor of polo-like kinase 4 (PLK4) [1]. Inhibition of PLK4 has antiproliferative effects that are being explored for anti-tumour potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 125.44
Molecular weight 551.18
XLogP 6.54
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(c(c1)NC(=O)c1cc(CNc2nc(Nc3n[nH]c(c3)C)c3c(n2)n(nc3)C(C)C)ccc1Cl)F
Isomeric SMILES Cc1cc(Nc2c3c(n(C(C)C)nc3)nc(NCc3cc(C(=O)Nc4cc(F)ccc4F)c(Cl)cc3)n2)n[nH]1
InChI InChI=1S/C26H24ClF2N9O/c1-13(2)38-24-18(12-31-38)23(33-22-8-14(3)36-37-22)34-26(35-24)30-11-15-4-6-19(27)17(9-15)25(39)32-21-10-16(28)5-7-20(21)29/h4-10,12-13H,11H2,1-3H3,(H,32,39)(H3,30,33,34,35,36,37)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound B43 [PMID: 36734825] | CZS241
Database Links Click here for help
GtoPdb PubChem SID 479821187
PubChem CID 167312396
Search Google for chemical match using the InChIKey WIOVOFCYNTYNJH-UHFFFAOYSA-N
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