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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143707
CHEMBL143707
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H19FN2S

Additional synonyms for CHEMBL143707 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)Cc1ccccc1Sc2ccc(CF)cc2N
Standard InChI InChI=1S/C16H19FN2S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12 ...
Download InChI
Standard InChI Key OTCJLGGVKHCDCO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143707

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
290.4 290.1253 3.95 5 29.26 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.46 2.22 1.09 2 20 0.85

Structural Alerts

There are 3 structural alerts for CHEMBL143707. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OTCJLGGVKHCDCO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143707



BindingDB 50119548
IBM Patent System 05D4017C71753CF48F3CD1E81367DCD6
Nikkaji J3.251.812E
PubChem 10017115
PubChem: Thomson Pharma 14998037
SureChEMBL SCHEMBL1644235
ZINC ZINC000013642300

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