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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL470648
CHEMBL470648
Compound Name GYROPHORIC ACID
ChEMBL Synonyms Gyrophoric Acid
Max Phase 0
Trade Names
Molecular Formula C24H20O10

Additional synonyms for CHEMBL470648 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)cc(O)c1C(=O) ...
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Standard InChI InChI=1S/C24H20O10/c1-10-4-13(25)7-16(26)20(10)23(31)34-15-6 ...
Download InChI
Standard InChI Key ATQPZSQVWCPVGV-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL470648

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
468.4 468.1056 4.81 7 170.82 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.58 - 4.62 .6 3 34 0.24

Structural Alerts

There are 3 structural alerts for CHEMBL470648. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ATQPZSQVWCPVGV-UHFFFAOYSA-N
PubChem SID: 47193445 SID: 502844
Wikipedia Gyrophoric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL470648



ACToR 548-89-0
eMolecules 769612
EPA CompTox Dashboard DTXSID30203289
FDA SRS BAQ44A6C6H
IBM Patent System 5C307F057C4D6EAF3207F9CA285EBEBD
Mcule MCULE-5370329825
MolPort MolPort-002-517-866
Nikkaji J227.841C
PubChem 135728
PubChem: Thomson Pharma 16862068
SureChEMBL SCHEMBL3800330

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