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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL173513
CHEMBL173513
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H20Li2N2O7

Additional synonyms for CHEMBL173513 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Li+].[Li+].CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(=O)C(= ...
Download SMILES
Standard InChI InChI=1S/C18H22N2O7.2Li/c1-11(21)19-14(10-12-6-3-2-4-7-12)16 ...
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Standard InChI Key VVAJNWBMCJIYEU-AXEKQOJOSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL173513

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
378.4 378.1427 0.13 11 149.87 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.58 - -1.31 -6.06 1 27 0.4

Structural Alerts

There are 10 structural alerts for CHEMBL173513. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VVAJNWBMCJIYEU-AXEKQOJOSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL173513



Nikkaji J1.363.925F
PubChem 10786589 101047907
PubChem: Thomson Pharma 15825348

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VVAJNWBMCJIYEU-AXEKQOJOSA-L spacer
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