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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3310754
CHEMBL3310754
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17N3O

Additional synonyms for CHEMBL3310754 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CCCn2nc(COc3ccccc3)cc12
Standard InChI InChI=1S/C14H17N3O/c15-13-7-4-8-17-14(13)9-11(16-17)10-18-12 ...
Download InChI
Standard InChI Key MABXCUBNFHPRFM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3310754

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
243.3 243.1372 2.26 3 53.07 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.79 .78 -1.36 2 18 0.9

Structural Alerts

There are no structural alerts for CHEMBL3310754

Compound Cross References

ChemSpider ChemSpider:MABXCUBNFHPRFM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3310754



BindingDB 50047411
PubChem 118706773

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