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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6633
CHEMBL6633
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H11N5O2S

Additional synonyms for CHEMBL6633 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nccc(Nc2ccc(cc2)S(=O)(=O)N)n1
Standard InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7) ...
Download InChI
Standard InChI Key QOAXQANKSMHFKJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6633

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
265.3 265.0633 0.45 3 123.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.77 6.07 .47 .45 2 18 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL6633. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QOAXQANKSMHFKJ-UHFFFAOYSA-N
PubChem SID: 423964 SID: 4253792

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6633



ACToR 2153-13-1
BindingDB 10873
Brenda 78271 3756
FDA SRS 1DW8U29X8S
IBM Patent System FB2C45A4928A58FBE92417CD1EFC26FB
Mcule MCULE-1716829198
Nikkaji J1.184.442A
PubChem 31036
PubChem: Thomson Pharma 15490951
SureChEMBL SCHEMBL3791868
ZINC ZINC000000056465

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