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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2430864
CHEMBL2430864
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N4OS

Additional synonyms for CHEMBL2430864 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1csc(Nc2ncccc2OCc3ccccn3)n1
Standard InChI InChI=1S/C15H14N4OS/c1-11-10-21-15(18-11)19-14-13(6-4-8-17-1 ...
Download InChI
Standard InChI Key MLRHOZPGFVPVOQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2430864

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
298.4 298.0888 3.56 5 59.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.08 1.48 1.48 3 21 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL2430864. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MLRHOZPGFVPVOQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2430864



BindingDB 50441151
IBM Patent System 2BE451D9AB04F0CBA0D6B3F1B32E46D9
PubChem 16660016
PubChem: Thomson Pharma 26520052
SureChEMBL SCHEMBL13439330
ZINC ZINC000096284842

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