MEK inhibitor II   Click here for help

GtoPdb Ligand ID: 6007

Synonyms: NSC-686549 | NSC686549
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 71.52
Molecular weight 289.01
XLogP 1.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2
Isomeric SMILES O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2
InChI InChI=1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2
InChI Key GYQSWJNGTWVFOL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)pyrrolidine-2,5-dione
Synonyms Click here for help
NSC-686549 | NSC686549
Database Links Click here for help
CAS Registry No. 623163-52-0
ChEMBL Ligand CHEMBL404939
GtoPdb PubChem SID 178102629
PubChem CID 389898
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