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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL332199
CHEMBL332199
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H15N3O2

Additional synonyms for CHEMBL332199 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1nc(ncc1C(=O)O)N(C)C
Standard InChI InChI=1S/C10H15N3O2/c1-4-5-8-7(9(14)15)6-11-10(12-8)13(2)3/h ...
Download InChI
Standard InChI Key XWWAHAXUUMGMNI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL332199

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
209.3 209.1164 1.19 4 66.32 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.19 5 2.32 -.68 1 15 0.81

Structural Alerts

There are no structural alerts for CHEMBL332199

Compound Cross References

ChemSpider ChemSpider:XWWAHAXUUMGMNI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL332199



Nikkaji J771.824A
PubChem 10512604
PubChem: Thomson Pharma 15537901

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