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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490939
CHEMBL1490939
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16N6O2

Additional synonyms for CHEMBL1490939 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)N(C)c2nc(NN=C(C)C)n(C)c2C1=O
Standard InChI InChI=1S/C11H16N6O2/c1-6(2)13-14-10-12-8-7(15(10)3)9(18)17(5 ...
Download InChI
Standard InChI Key PYUACMLYLXROQH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490939

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
264.3 264.1335 -0.22 2 86.21 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.53 .83 .83 2 19 0.6

Structural Alerts

There are 6 structural alerts for CHEMBL1490939. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PYUACMLYLXROQH-UHFFFAOYSA-N
PubChem SID: 26658987

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490939



eMolecules 4447244
Mcule MCULE-7535117247
MolPort MolPort-002-568-419
PubChem 736560
ZINC ZINC000000159309

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