CE3F4   Click here for help

GtoPdb Ligand ID: 10624

Compound class: Synthetic organic
Comment: Noncompetitive Epac1 inhibitor.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 20.31
Molecular weight 348.91
XLogP 3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=CN1C(C)CCc2c1cc(Br)c(c2Br)F
Isomeric SMILES O=CN1C(C)CCc2c1cc(Br)c(c2Br)F
InChI InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3
InChI Key ZZLQPWXVZCPUGC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
Database Links Click here for help
CAS Registry No. 143703-25-7
GtoPdb PubChem SID 404859071
PubChem CID 21781066
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Tocris
CE3F4
Cat. No. 4793