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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL199210
CHEMBL199210
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H26N6OS

Additional synonyms for CHEMBL199210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc4ccc(Sc5ccccc5)cc4
Standard InChI InChI=1S/C27H26N6OS/c28-17-20-18-30-25-19-31-26(29-10-11-33- ...
Download InChI
Standard InChI Key HIASHEATKNRFJC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL199210

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
482.6 482.1889 4.59 8 111.4 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.71 2.83 2.74 4 35 0.38

Structural Alerts

There are no structural alerts for CHEMBL199210

Compound Cross References

ChemSpider ChemSpider:HIASHEATKNRFJC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL199210



BindingDB 50173833
IBM Patent System ED779C0B3F01C13B7DB75D8E46BB09FE
PubChem 16085320
PubChem: Thomson Pharma 24731274
SureChEMBL SCHEMBL4769813
ZINC ZINC000028529567

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