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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL303889
CHEMBL303889
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H19N3

Additional synonyms for CHEMBL303889 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CNCCN(C1)c2cncc(c2)c3ccccc3
Standard InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9- ...
Download InChI
Standard InChI Key YAWZOEAWIFAGIV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL303889

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
253.4 253.1579 2.55 2 28.16 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.22 2.32 .09 2 19 0.89

Structural Alerts

There are no structural alerts for CHEMBL303889

Compound Cross References

ChemSpider ChemSpider:YAWZOEAWIFAGIV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL303889



BindingDB 50088437
IBM Patent System 99E2BB2BF0A216D9908EC16510EFFC5C
MolPort MolPort-044-756-192
Nikkaji J1.371.886E
PDBe 09Q
PubChem 10777277
PubChem: Thomson Pharma 15815444
SureChEMBL SCHEMBL6350059

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