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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278174
CHEMBL278174
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C39H42N2O4

Additional synonyms for CHEMBL278174 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)CN ...
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Standard InChI InChI=1S/C39H42N2O4/c42-34(26-41-33(22-29-16-8-3-9-17-29)23- ...
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Standard InChI Key JMCYOVXEMFWTCO-JSFOLGEGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278174

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
602.8 602.3145 5.07 12 89.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 2 6 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.51 6.51 4 45 0.21

Structural Alerts

There are 1 structural alerts for CHEMBL278174. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JMCYOVXEMFWTCO-JSFOLGEGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278174



BindingDB 9225
Nikkaji J1.340.349J
PubChem 15954108
ZINC ZINC000049605950

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