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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1308167
CHEMBL1308167
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H19N3O3

Additional synonyms for CHEMBL1308167 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CC(O)CN1C(=O)NC(C)(C)C1=O
Standard InChI InChI=1S/C10H19N3O3/c1-10(2)8(15)13(9(16)11-10)6-7(14)5-12(3 ...
Download InChI
Standard InChI Key QMTVFLPQQFBNTL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1308167

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
229.3 229.1426 -0.76 4 72.88 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.45 8.78 .27 -.83 0 16 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL1308167. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QMTVFLPQQFBNTL-UHFFFAOYSA-N
PubChem SID: 24804168

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1308167



eMolecules 1345365
Mcule MCULE-2027432213
MolPort MolPort-001-966-172
PubChem 3133125

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