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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1575046
CHEMBL1575046
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13BrN2O2

Additional synonyms for CHEMBL1575046 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc2cc(CNC(=O)c3oc(Br)cc3)ccc2[nH]1
Standard InChI InChI=1S/C15H13BrN2O2/c1-9-6-11-7-10(2-3-12(11)18-9)8-17-15( ...
Download InChI
Standard InChI Key HHRZLCMZKGROLH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1575046

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
333.2 332.016 3.76 3 58.03 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.56 - 2.32 2.32 3 20 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL1575046. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HHRZLCMZKGROLH-UHFFFAOYSA-N
PubChem SID: 26669909 SID: 7971923

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1575046



BindingDB 77487
eMolecules 5453957
Mcule MCULE-8858393538
MolPort MolPort-003-039-940
PubChem 3573352
ZINC ZINC000004138127

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