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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1299611
CHEMBL1299611
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H14N4O3S2

Additional synonyms for CHEMBL1299611 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)S(=O)(=O)Nc2nc(C)c(s2)C(=O)NN
Standard InChI InChI=1S/C12H14N4O3S2/c1-7-3-5-9(6-4-7)21(18,19)16-12-14-8(2 ...
Download InChI
Standard InChI Key QIEBMORFYOBPFY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1299611

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
326.4 326.0507 1.16 4 114.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.17 2.67 -.51 -1.85 2 21 0.44

Structural Alerts

There are 8 structural alerts for CHEMBL1299611. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QIEBMORFYOBPFY-UHFFFAOYSA-N
PubChem SID: 26660876

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1299611



eMolecules 4465129
Mcule MCULE-3124070334
MolPort MolPort-002-573-370
PubChem 1940053
ZINC ZINC000005684169

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