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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1720491
CHEMBL1720491
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H31N3O8

Additional synonyms for CHEMBL1720491 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)CCN1C(=O)C2CCC3C(C(O)C(O)CC3=NNC(=O)OCc4ccccc4)C2C1= ...
Download SMILES
Standard InChI InChI=1S/C25H31N3O8/c1-2-35-19(30)10-11-28-23(32)16-9-8-15-1 ...
Download InChI
Standard InChI Key GXEBUQUUUJQKNT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1720491

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
501.5 501.2111 0.97 7 154.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.36 1.37 -.4 -.4 1 36 0.28

Structural Alerts

There are 13 structural alerts for CHEMBL1720491. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GXEBUQUUUJQKNT-UHFFFAOYSA-N
PubChem SID: 104232411 SID: 104232524

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1720491



PubChem 73324572

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