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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1971796
CHEMBL1971796
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H17N3O4

Additional synonyms for CHEMBL1971796 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC1CC(OC1CO)N2C=C(C)C(=O)NC2=O
Standard InChI InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-3-7(12-2)8( ...
Download InChI
Standard InChI Key LDZKBUFNIZADPS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1971796

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
255.3 255.1219 -1.29 3 96.35 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.55 9.27 -.43 -2.41 1 18 0.62

Structural Alerts

There are no structural alerts for CHEMBL1971796

Compound Cross References

ChemSpider ChemSpider:LDZKBUFNIZADPS-UHFFFAOYSA-N
PubChem SID: 503941

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1971796



PubChem 372767

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