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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2163948
CHEMBL2163948
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30N2O4

Additional synonyms for CHEMBL2163948 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1COc2c(OC)ccc3C(=O)C(=CN1c23)C(=O)NC45CC6CC(CC(C6)C4)C5
Standard InChI InChI=1S/C25H30N2O4/c1-3-17-13-31-23-20(30-2)5-4-18-21(23)27 ...
Download InChI
Standard InChI Key GZYUOGNPBFAMCO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2163948

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
422.5 422.2206 4.05 4 69.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.92 - 2.78 2.78 2 31 0.81

Structural Alerts

There are 3 structural alerts for CHEMBL2163948. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZYUOGNPBFAMCO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2163948



BindingDB 50395151
PubChem 60196093

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