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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184657
CHEMBL3184657
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12Cl2F4O2

Additional synonyms for CHEMBL3184657 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc2c(F)c(F)cc(F)c2F
Standard InChI InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5 ...
Download InChI
Standard InChI Key DDVNRFNDOPPVQJ-HQJQHLMTSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184657

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
371.2 370.015 4.88 4 26.3 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.46 5.46 1 23 0.43

Structural Alerts

There are 6 structural alerts for CHEMBL3184657. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DDVNRFNDOPPVQJ-HQJQHLMTSA-N
PubChem SID: 144206228

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184657



ACToR 118712-89-3
ChEBI 32253
ChemicalBook CB3162204
eMolecules 6719787
EPA CompTox Dashboard DTXSID4046812
FDA SRS QWL3SKA6EG
IBM Patent System B79AEC04D94596A5CFCAD281B4FCCA79
KEGG Ligand C13410
Nikkaji J866.718G
PubChem 656612
PubChem: Thomson Pharma 16087976
SureChEMBL SCHEMBL26844
ZINC ZINC000005455493

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DDVNRFNDOPPVQJ-HQJQHLMTSA-N spacer
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