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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1574101
CHEMBL1574101
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15N5OS

Additional synonyms for CHEMBL1574101 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)CSc1nc2nc(C)cc(C)n2n1
Standard InChI InChI=1S/C11H15N5OS/c1-7-5-8(2)16-10(12-7)13-11(14-16)18-6-9 ...
Download InChI
Standard InChI Key AQZMZPWMKVYCMS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1574101

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
265.3 265.0997 1.13 3 88.69 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .21 .73 .73 2 18 0.78

Structural Alerts

There are no structural alerts for CHEMBL1574101

Compound Cross References

ChemSpider ChemSpider:AQZMZPWMKVYCMS-UHFFFAOYSA-N
PubChem SID: 14743926

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1574101



eMolecules 3280803
Mcule MCULE-5653215181
MolPort MolPort-004-055-685
PubChem 2570537
ZINC ZINC000003450287

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