DAPK inhibitor 13   

GtoPdb Ligand ID: 9422

Synonyms: compound 13 [PMID: 20206532] | i-13
Compound class: Synthetic organic
Comment: DAPK inhibitor 13 is a pan DAPK inhibitor [1-2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 51.55
Molecular weight 342
XLogP 3.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1OC(=NC1=Cc1cccnc1)c1ccc(c(c1)C)Br
Isomeric SMILES O=C1OC(=N/C/1=C/c1cccnc1)c1ccc(c(c1)C)Br
InChI InChI=1S/C16H11BrN2O2/c1-10-7-12(4-5-13(10)17)15-19-14(16(20)21-15)8-11-3-2-6-18-9-11/h2-9H,1H3/b14-8+
InChI Key AIDLMCGWDDGYCV-RIYZIHGNSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(4E)-2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
Synonyms
compound 13 [PMID: 20206532] | i-13
Database Links
GtoPdb PubChem SID 328083522
PubChem CID 56694877
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