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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356605
CHEMBL356605
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15N3O

Additional synonyms for CHEMBL356605 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Oc1ccccc1c2cccnc2)C3=NCCN3
Standard InChI InChI=1S/C15H15N3O/c1-2-6-14(19-11-15-17-8-9-18-15)13(5-1)12 ...
Download InChI
Standard InChI Key VARULOWOKPYQRB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL356605

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
253.3 253.1215 2.13 4 46.51 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.78 2.1 .24 2 19 0.91

Structural Alerts

There are no structural alerts for CHEMBL356605

Compound Cross References

ChemSpider ChemSpider:VARULOWOKPYQRB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL356605



BindingDB 50421594
Nikkaji J1.693.287F
PubChem 44362185
ZINC ZINC000013437797

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