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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1968399
CHEMBL1968399
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H20N4

Additional synonyms for CHEMBL1968399 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCNC(CCC#N)CC#N
Standard InChI InChI=1S/C11H20N4/c1-15(2)10-4-9-14-11(6-8-13)5-3-7-12/h11,1 ...
Download InChI
Standard InChI Key FSQFEECLDARRLK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1968399

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
208.3 208.1688 1.11 8 62.85 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.55 .19 -2.12 0 15 0.61

Structural Alerts

There are 3 structural alerts for CHEMBL1968399. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FSQFEECLDARRLK-UHFFFAOYSA-N
PubChem SID: 436888

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1968399



PubChem 293528

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