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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1553992
CHEMBL1553992
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H21N3O6

Additional synonyms for CHEMBL1553992 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc(NC(=O)CN2C(=O)N(Cc3occc3)C(=O)c4oc5ccccc5c24)cc1
Standard InChI InChI=1S/C25H21N3O6/c1-2-32-17-11-9-16(10-12-17)26-21(29)15- ...
Download InChI
Standard InChI Key RDXJVWUKGDTJTN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1553992

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
459.5 459.143 3.59 7 108.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.24 1.31 4.43 4.43 5 34 0.4

Structural Alerts

There are no structural alerts for CHEMBL1553992

Compound Cross References

ChemSpider ChemSpider:RDXJVWUKGDTJTN-UHFFFAOYSA-N
PubChem SID: 24397253

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1553992



eMolecules 16179716
Mcule MCULE-6889509729
MolPort MolPort-007-741-003
PubChem 16019248
ZINC ZINC000008589242

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