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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1416640
CHEMBL1416640
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12N2O2

Additional synonyms for CHEMBL1416640 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)CCCCC(=O)N
Standard InChI InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2, ...
Download InChI
Standard InChI Key GVNWZKBFMFUVNX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1416640

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
144.2 144.0899 -0.48 5 86.18 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.22 -1.22 0 10 0.51

Structural Alerts

There are 2 structural alerts for CHEMBL1416640. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GVNWZKBFMFUVNX-UHFFFAOYSA-N
PubChem SID: 144207545 SID: 17390060

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1416640



ACToR 628-94-4
Brenda 16173 133193 115170 170908
eMolecules 495410
EPA CompTox Dashboard DTXSID4020032
FDA SRS 40DRU033OW
IBM Patent System 2C76A15739E0AF78475129E88280719B
LipidMaps LMFA08010017
Mcule MCULE-7701704987
MolPort MolPort-000-872-078
Nikkaji J6.884E
NMRShiftDB 20200192
PDBe 9EE
PubChem 12364
PubChem: Thomson Pharma 15321537
SureChEMBL SCHEMBL125606
ZINC ZINC000001683672

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