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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65324
CHEMBL65324
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H12Cl2N2O

Additional synonyms for CHEMBL65324 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1=C2C3CNCC(C3)CN2C(=O)C(=C1)Cl
Standard InChI InChI=1S/C11H12Cl2N2O/c12-8-2-9(13)11(16)15-5-6-1-7(10(8)15) ...
Download InChI
Standard InChI Key MBFUUTUPEKSDBX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65324

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
259.1 258.0327 1.86 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
- 9.63 2.27 .1 1 16 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL65324. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MBFUUTUPEKSDBX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65324



BindingDB 50161092
IBM Patent System 9A35FE5F788217E7C173E6C4027AA400
PubChem 22987817
SureChEMBL SCHEMBL5967819

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