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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294311
CHEMBL294311
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H13ClN2O

Additional synonyms for CHEMBL294311 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1=C2C3CNCC(C3)CN2C(=O)C=C1
Standard InChI InChI=1S/C11H13ClN2O/c12-9-1-2-10(15)14-6-7-3-8(11(9)14)5-13 ...
Download InChI
Standard InChI Key FRJRAPCSCQSPBH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL294311

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
224.7 224.0716 1.21 0 34.03 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.97 1.4 -1.06 1 15 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL294311. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FRJRAPCSCQSPBH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294311



BindingDB 50161089
IBM Patent System F0C33881409616C380C8F77E8DC4E413
PubChem 22987731
SureChEMBL SCHEMBL6357643

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