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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1968119
CHEMBL1968119
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H11Cl2N3O2

Additional synonyms for CHEMBL1968119 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1C(N(N2C=Nc3ccccc3C2=O)C1=O)c4ccccc4Cl
Standard InChI InChI=1S/C17H11Cl2N3O2/c18-12-7-3-1-5-10(12)15-14(19)17(24)2 ...
Download InChI
Standard InChI Key UTFVGRNGKLFYML-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1968119

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
360.2 359.0228 2.88 2 55.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.88 1.88 3 24 0.52

Structural Alerts

There are 14 structural alerts for CHEMBL1968119. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UTFVGRNGKLFYML-UHFFFAOYSA-N
PubChem SID: 504732

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1968119



PubChem 373568

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