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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL365505
CHEMBL365505
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H15ClN4OS

Additional synonyms for CHEMBL365505 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)n1
Standard InChI InChI=1S/C17H15ClN4OS/c1-10-5-3-7-12(18)15(10)22-16(23)13-9- ...
Download InChI
Standard InChI Key XGXWRGOYVJXPFI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL365505

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
358.9 358.0655 4.8 4 66.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.98 3.65 2.01 2.01 3 24 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL365505. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XGXWRGOYVJXPFI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL365505



BindingDB 13265
IBM Patent System DC10760F5B33470D69B54F8D2485F87B
PubChem 21911345
SureChEMBL SCHEMBL774162
ZINC ZINC000014952169

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