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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1288315
CHEMBL1288315
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13N3

Additional synonyms for CHEMBL1288315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2cc([nH]c2c1)c3n[nH]c4ccccc34
Standard InChI InChI=1S/C16H13N3/c1-10-6-7-11-9-15(17-14(11)8-10)16-12-4-2- ...
Download InChI
Standard InChI Key RXPAEOOCZFXOHW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1288315

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
247.3 247.1109 4.02 1 44.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.86 3.2 3.2 4 19 0.52

Structural Alerts

There are no structural alerts for CHEMBL1288315

Compound Cross References

ChemSpider ChemSpider:RXPAEOOCZFXOHW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1288315



BindingDB 50331262
IBM Patent System 7A05BF30FD46867770D95D360AE381E1
PubChem: Thomson Pharma 16497714
SureChEMBL SCHEMBL4121353
ZINC ZINC000064573113

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