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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1489995
CHEMBL1489995
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15BrN2O2

Additional synonyms for CHEMBL1489995 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1
Standard InChI InChI=1S/C15H15BrN2O2/c1-9(2)10-3-4-14(19)13(6-10)18-15(20)1 ...
Download InChI
Standard InChI Key OKIFMUFKAMXPLZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1489995

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
335.2 334.0317 3.93 3 62.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.07 1.79 4.4 4.39 2 20 0.84

Structural Alerts

There are 3 structural alerts for CHEMBL1489995. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OKIFMUFKAMXPLZ-UHFFFAOYSA-N
PubChem SID: 4248166

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1489995



PubChem 3242278

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