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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL73605
CHEMBL73605
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H12N4

Additional synonyms for CHEMBL73605 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)c1ccc(Cc2c[nH]cn2)cc1
Standard InChI InChI=1S/C11H12N4/c12-11(13)9-3-1-8(2-4-9)5-10-6-14-7-15-10/ ...
Download InChI
Standard InChI Key GOTTYTIDGPFOQO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL73605

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
200.2 200.1062 0.76 3 78.55 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.63 .54 -1.7 2 15 0.51

Structural Alerts

There are 5 structural alerts for CHEMBL73605. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GOTTYTIDGPFOQO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL73605



BindingDB 50071488
IBM Patent System 226A4771E8A9AC2E336C0CDA05D8A40D
PubChem 23368257
SureChEMBL SCHEMBL6966762

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