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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL500173
CHEMBL500173
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H64N10O7

Additional synonyms for CHEMBL500173 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O ...
Download SMILES
Standard InChI InChI=1S/C40H64N10O7/c1-24(2)21-30(38(56)57)48-36(54)33(40(3 ...
Download InChI
Standard InChI Key JUKCEHHNUBUMOG-VDYFTJCESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL500173

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
797 796.4959 1.6 22 277.72 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 10 2 17 12 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.41 13.45 .58 -2.92 2 57 0.05

Structural Alerts

There are 7 structural alerts for CHEMBL500173. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUKCEHHNUBUMOG-VDYFTJCESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL500173



BindingDB 50257199
PubChem 44572627
ZINC ZINC000095541407

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