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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1967513
CHEMBL1967513
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H10ClF3N4O

Additional synonyms for CHEMBL1967513 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccnc3ccc(Cl)cc23)n1
Standard InChI InChI=1S/C16H10ClF3N4O/c17-9-4-5-11-10(8-9)12(6-7-21-11)22-1 ...
Download InChI
Standard InChI Key BOVQIKHARODWQD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1967513

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
366.7 366.0495 4.95 2 66.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.23 5.07 4.32 4.32 3 25 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL1967513. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BOVQIKHARODWQD-UHFFFAOYSA-N
PubChem SID: 103904869

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1967513



PubChem 49830681
ZINC ZINC000063540296

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