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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2016865
CHEMBL2016865
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H44N8O6S

Additional synonyms for CHEMBL2016865 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc3 ...
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Standard InChI InChI=1S/C38H44N8O6S/c39-34(40)30-17-15-26(16-18-30)22-43-35 ...
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Standard InChI Key HJCCPKALMCCVEK-SAIUNTKASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2016865

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
740.9 740.3105 2.51 19 253.44 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 9 2 14 11 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.04 12.46 2.41 -.96 4 53 0.05

Structural Alerts

There are 8 structural alerts for CHEMBL2016865. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HJCCPKALMCCVEK-SAIUNTKASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2016865



BindingDB 50380619
PubChem 70683249
ZINC ZINC000084620107

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