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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1877125
CHEMBL1877125
Compound Name BROMACIL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H13BrN2O2

Additional synonyms for CHEMBL1877125 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)N1C(=O)NC(=C(Br)C1=O)C
Standard InChI InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5 ...
Download InChI
Standard InChI Key CTSLUCNDVMMDHG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1877125

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
261.1 260.016 1.58 2 54.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.79 - 2.11 2.09 1 14 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL1877125. To view alerts please click here.

Compound Cross References

HRAC C1 - INHIBITION OF PHOTOSYNTHESIS AT PHOTOSYSTEM II
C14 - URACIL
C141 - BROMACIL
ChemSpider ChemSpider:CTSLUCNDVMMDHG-UHFFFAOYSA-N
PubChem SID: 144211428 SID: 26757347 SID: 29216452

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1877125



ACToR 8027-85-8 314-40-9
ChEBI 83658
ChemicalBook CB7381577
eMolecules 508481
EPA CompTox Dashboard DTXSID4022020
IBM Patent System 6EF22A0EA08C350419B57F43578CDAB5
KEGG Ligand C10911
MolPort MolPort-003-933-000
Nikkaji J8.594D
PubChem 9411
PubChem: Thomson Pharma 14798971
SureChEMBL SCHEMBL53954

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