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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL36937
CHEMBL36937
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19N5O

Additional synonyms for CHEMBL36937 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1CN=CNc2c1ncn2CCCCCCC#N
Standard InChI InChI=1S/C13H19N5O/c14-6-4-2-1-3-5-7-18-10-17-12-11(19)8-15- ...
Download InChI
Standard InChI Key GYJDZFSPZKEWOT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL36937

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
261.3 261.159 1.84 6 86.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.94 7.82 -.53 -.76 1 19 0.76

Structural Alerts

There are 6 structural alerts for CHEMBL36937. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GYJDZFSPZKEWOT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL36937



BindingDB 50087303
PubChem 10753895
PubChem: Thomson Pharma 15790915

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