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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL148471
CHEMBL148471
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H14N2O

Additional synonyms for CHEMBL148471 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NCc2c1c3c4ccccc4[nH]c3c5Cc6ccccc6c25
Standard InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)17-12-6-2-1-5-11(12 ...
Download InChI
Standard InChI Key ABMSAGZBJYEZGT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL148471

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
310.4 310.1106 4.14 0 44.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.61 3.61 4 24 0.44

Structural Alerts

There are no structural alerts for CHEMBL148471

Compound Cross References

ChemSpider ChemSpider:ABMSAGZBJYEZGT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL148471



BindingDB 14173
IBM Patent System 14E604B2EF955588F15CA00131956F13
Nikkaji J1.874.166K
PubChem 11809063
PubChem: Thomson Pharma 16923879
SureChEMBL SCHEMBL3082217
ZINC ZINC000000021160

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