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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032026
CHEMBL2032026
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H25N5O5

Additional synonyms for CHEMBL2032026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(CCO)N(C4=O)c5ccccc5)nc3)ccnc ...
Download SMILES
Standard InChI InChI=1S/C28H25N5O5/c1-18-26(28(36)33(32(18)14-15-34)19-6-4- ...
Download InChI
Standard InChI Key BSFOFLYNEZXJRV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032026

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
511.5 511.1856 3.94 8 120.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.68 4.84 2.12 2.12 5 38 0.32

Structural Alerts

There are 1 structural alerts for CHEMBL2032026. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BSFOFLYNEZXJRV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032026



BindingDB 50383200
IBM Patent System 674C4544B0AE2436DAE19BE3BCAB2551
PubChem 11963057
PubChem: Thomson Pharma 17421606
SureChEMBL SCHEMBL199635
ZINC ZINC000084652512

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