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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2348823
CHEMBL2348823
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H19N3O3

Additional synonyms for CHEMBL2348823 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc3ccc4oc(nc4c3)c5ccncc5
Standard InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24 ...
Download InChI
Standard InChI Key QCNXGTHMVPSAAC-INIZCTEOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2348823

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
409.5 409.1426 5.45 5 77.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.43 3.27 4.43 4.43 5 31 0.42

Structural Alerts

There are no structural alerts for CHEMBL2348823

Compound Cross References

ChemSpider ChemSpider:QCNXGTHMVPSAAC-INIZCTEOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2348823



BindingDB 50432791
PDBe Q21
PubChem 71297189
SureChEMBL SCHEMBL15598247
ZINC ZINC000095601520

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