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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2205766
CHEMBL2205766
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H18N6O2S

Additional synonyms for CHEMBL2205766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)c2ccn3nc(N)nc3c2
Standard InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12 ...
Download InChI
Standard InChI Key IVYWKCAOPCHVMX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2205766

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
346.4 346.1212 1.45 3 115.27 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.26 4.01 2.04 2.04 3 24 0.74

Structural Alerts

There are 2 structural alerts for CHEMBL2205766. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IVYWKCAOPCHVMX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2205766



BindingDB 50401152
IBM Patent System E4CAC3668048F3120E363170F906E4F0
PubChem 44557921
PubChem: Thomson Pharma 87241445
SureChEMBL SCHEMBL3226712
ZINC ZINC000095562659

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