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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL126713
CHEMBL126713
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H20N4O2

Additional synonyms for CHEMBL126713 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC\N=C(\N)/NCCCC(N)C(=O)O
Standard InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H, ...
Download InChI
Standard InChI Key AOMXURITGZJPKB-UHFFFAOYSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL126713. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL126713

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
216.3 216.1586 -2.75 8 113.73 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.51 13.94 .39 -3.1 0 15 0.2

Compound Cross References

ChemSpider ChemSpider:AOMXURITGZJPKB-UHFFFAOYSA-N
Wikipedia N-Propyl-L-arginine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL126713



BindinDB 50061231
PubChem 44350240 4387
PubChem: Thomson Pharma 104227259

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