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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL344174
CHEMBL344174
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19N3O3

Additional synonyms for CHEMBL344174 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc2ccccc2
Standard InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15 ...
Download InChI
Standard InChI Key QXQAFIAKTXDYFI-KRWDZBQOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL344174

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
337.4 337.1426 2.16 7 91.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.01 - 3.39 3.39 2 25 0.76

Structural Alerts

There are 10 structural alerts for CHEMBL344174. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QXQAFIAKTXDYFI-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL344174



BindingDB 20096
Brenda 117957
PubChem 14655218

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