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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL35381
CHEMBL35381
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H21N7O3S

Additional synonyms for CHEMBL35381 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1=NN(Cc2ccc(cc2)c3ccccc3c4nn[nH]n4)\C(=N\C(=O)c5ccccc5C(= ...
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Standard InChI InChI=1S/C26H21N7O3S/c1-2-22-30-33(26(37-22)27-24(34)20-9-5- ...
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Standard InChI Key SNGOFQULYMNZJN-RQZHXJHFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL35381

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
511.6 511.1427 3.84 7 139.01 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.29 .6 5.27 1.12 5 37 0.34

Structural Alerts

There are 1 structural alerts for CHEMBL35381. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SNGOFQULYMNZJN-RQZHXJHFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL35381



SureChEMBL SCHEMBL8833742
ZINC ZINC000029250235

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