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ChEMBL Statistics
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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

Structural Alerts

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

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

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
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
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