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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3310379
CHEMBL3310379
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15N5O4

Additional synonyms for CHEMBL3310379 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1c[nH]c(c1)C(=O)NNC(=O)NC2CCCC2
Standard InChI InChI=1S/C11H15N5O4/c17-10(9-5-8(6-12-9)16(19)20)14-15-11(18 ...
Download InChI
Standard InChI Key UUBYXPAYKMGGDX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3310379

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
281.3 281.1124 0.81 3 129.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.21 - 1.19 1.19 1 20 0.48

Structural Alerts

There are 10 structural alerts for CHEMBL3310379. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UUBYXPAYKMGGDX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3310379



PubChem 38201348
ZINC ZINC000031027310

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