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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1933692
CHEMBL1933692
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H15N3O

Additional synonyms for CHEMBL1933692 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(C(Cn1ccnn1)c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C17H15N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18 ...
Download InChI
Standard InChI Key WWORACPMEHPZQP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1933692

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
277.3 277.1215 2.94 5 47.78 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .92 2.96 2.96 3 21 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL1933692. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WWORACPMEHPZQP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1933692



BindingDB 50360379
PubChem 57398582

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