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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571867
CHEMBL1571867
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H11ClN4O3

Additional synonyms for CHEMBL1571867 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)NC1=NN(C(=O)C(=C1C)C#N)c2ccc(Cl)cc2
Standard InChI InChI=1S/C14H11ClN4O3/c1-8-11(7-16)13(20)19(10-5-3-9(15)4-6- ...
Download InChI
Standard InChI Key ICJGEEGWUDUCCM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571867

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
318.7 318.052 2.41 3 94.79 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.84 - 1.98 .08 1 22 0.92

Structural Alerts

There are 1 structural alerts for CHEMBL1571867. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ICJGEEGWUDUCCM-UHFFFAOYSA-N
PubChem SID: 24814853

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571867



eMolecules 6807991
Mcule MCULE-5604110286
MolPort MolPort-002-729-178
PubChem 1505854
ZINC ZINC000001425322

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