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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1521781
CHEMBL1521781
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H17N3O2S

Additional synonyms for CHEMBL1521781 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)S(=O)(=O)NCc1ccc2[nH]c(C)cc2c1
Standard InChI InChI=1S/C12H17N3O2S/c1-9-6-11-7-10(4-5-12(11)14-9)8-13-18(1 ...
Download InChI
Standard InChI Key FOUYVACWLRXIEF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1521781

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
267.4 267.1041 1.37 4 65.2 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.59 - 2.12 2.12 2 18 0.88

Structural Alerts

There are 1 structural alerts for CHEMBL1521781. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FOUYVACWLRXIEF-UHFFFAOYSA-N
PubChem SID: 7969917

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1521781



PubChem 3499281

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