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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL38367
CHEMBL38367
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H19BrN2O2S

Additional synonyms for CHEMBL38367 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCSC1=NC(=O)C2(CC(C)(C)Oc3ccc(Br)cc23)N1
Standard InChI InChI=1S/C16H19BrN2O2S/c1-4-7-22-14-18-13(20)16(19-14)9-15(2 ...
Download InChI
Standard InChI Key VZEAGUQHPRYIGT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL38367

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
383.3 382.0351 3.83 2 50.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.43 5.3 5.3 1 22 0.84

Structural Alerts

There are 2 structural alerts for CHEMBL38367. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VZEAGUQHPRYIGT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL38367



Nikkaji J551.606D
PubChem 9977236
PubChem: Thomson Pharma 14979665 14955071

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