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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279173
CHEMBL279173
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H37N3O10

Additional synonyms for CHEMBL279173 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C ...
Download SMILES
Standard InChI InChI=1S/C32H37N3O10/c1-19(2)28(35-32(42)45-16-22-12-8-5-9-1 ...
Download InChI
Standard InChI Key FLHFXTRVTIRQSV-ZVRCFVSOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279173

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
623.7 623.2479 2.68 17 186.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 13 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.02 - 3.27 -.04 2 45 0.19

Structural Alerts

There are 10 structural alerts for CHEMBL279173. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FLHFXTRVTIRQSV-ZVRCFVSOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279173



BindingDB 50291983
PubChem 44272180

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