ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1528282
CHEMBL1528282
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H11ClN2O

Additional synonyms for CHEMBL1528282 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.Cl.NC(=N)c1ccccc1
Standard InChI InChI=1S/C7H8N2.ClH.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H3,8,9 ...
Download InChI
Standard InChI Key BQVJCMMLDJPBFZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1528282

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
120.2 120.0687 0.89 1 49.87 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.6 .89 -1.11 1 9 0.42

Structural Alerts

There are 5 structural alerts for CHEMBL1528282. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BQVJCMMLDJPBFZ-UHFFFAOYSA-N
PubChem SID: 26732597 SID: 46500343

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1528282



eMolecules 479297
EPA CompTox Dashboard DTXSID70585091
MolPort MolPort-001-759-852
PubChem 66738716 16219042
SureChEMBL SCHEMBL596593

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