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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145704
CHEMBL145704
Compound Name BROMCRESOL GREEN
ChEMBL Synonyms Bromocresol Green
Max Phase 0
Trade Names
Molecular Formula C21H14Br4O5S

Additional synonyms for CHEMBL145704 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(Br)c(O)c(Br)cc1C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br) ...
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Standard InChI InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8- ...
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Standard InChI Key FRPHFZCDPYBUAU-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL145704

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
698 693.7295 7.49 2 92.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 - 10 5.88 3 31 0.27

Structural Alerts

There are 17 structural alerts for CHEMBL145704. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FRPHFZCDPYBUAU-UHFFFAOYSA-N
PubChem SID: 144212422
Wikipedia Bromocresol_green

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145704



ACToR 641-19-0 76-60-8
BindingDB 50420251
eMolecules 475153
EPA CompTox Dashboard DTXSID9044459
FDA SRS 8YGN0Y942M
Guide to Pharmacology 4530
IBM Patent System DB20CF06F033EB6648002124BDB506A9
Mcule MCULE-1120994207
MolPort MolPort-001-768-867
Nikkaji J2.821E
PubChem 6451
PubChem: Thomson Pharma 14815172
SureChEMBL SCHEMBL38763

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