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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2037010
CHEMBL2037010
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H27NO6S

Additional synonyms for CHEMBL2037010 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc3cccc(c3)[C@@H]4SC(=O)NC4=O
Standard InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21 ...
Download InChI
Standard InChI Key UMCOHKMLPVPQBF-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2037010

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
493.6 493.1559 6.01 11 94.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 7 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 6.22 4.87 3 35 0.32

Structural Alerts

There are 3 structural alerts for CHEMBL2037010. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UMCOHKMLPVPQBF-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2037010



PubChem 70694419
ZINC ZINC000012358494

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