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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1865160
CHEMBL1865160
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H9N5

Additional synonyms for CHEMBL1865160 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(c1nc2ccccc2[nH]1)n3cncn3
Standard InChI InChI=1S/C10H9N5/c1-2-4-9-8(3-1)13-10(14-9)5-15-7-11-6-12-15 ...
Download InChI
Standard InChI Key QTGTWRQAEQEXKD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1865160

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
199.2 199.0858 1.2 2 59.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.75 4.42 1.03 1.03 3 15 0.67

Structural Alerts

There are no structural alerts for CHEMBL1865160

Compound Cross References

ChemSpider ChemSpider:QTGTWRQAEQEXKD-UHFFFAOYSA-N
PubChem SID: 24816940

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1865160



Mcule MCULE-5333012056
MolPort MolPort-002-867-574
Nikkaji J3.051.821G
PubChem 1475747
SureChEMBL SCHEMBL14027530
ZINC ZINC000001387898

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