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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL434888
CHEMBL434888
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H33N3O6S

Additional synonyms for CHEMBL434888 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCn1nc(C)c(C(=O)O)c1Cc2ccc(cc2)c3ccccc3S(=O)(=O)NC(=O)OC(C ...
Download SMILES
Standard InChI InChI=1S/C27H33N3O6S/c1-6-7-16-30-22(24(25(31)32)18(2)28-30) ...
Download InChI
Standard InChI Key CVNZCGIBFCTCBE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL434888

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
527.6 527.209 5.16 9 127.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 9 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.62 3.39 4.67 .53 3 37 0.39

Structural Alerts

There are 4 structural alerts for CHEMBL434888. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CVNZCGIBFCTCBE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL434888



PubChem 11800280
PubChem: Thomson Pharma 16913727
ZINC ZINC000013761010

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