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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL149156
CHEMBL149156
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H29N3O5S

Additional synonyms for CHEMBL149156 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1ccc(C)cc1OC(=O)c2ccc(NC(=N)N)cc2.Cc3ccc(cc3)S(=O)(=O) ...
Download SMILES
Standard InChI InChI=1S/C18H21N3O2.C7H8O3S/c1-11(2)15-9-4-12(3)10-16(15)23- ...
Download InChI
Standard InChI Key ZTHIWFDKAXMGCA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL149156

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
311.4 311.1634 3.64 4 88.2 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.91 3.71 1.82 2 23 0.35

Structural Alerts

There are 7 structural alerts for CHEMBL149156. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZTHIWFDKAXMGCA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL149156



EPA CompTox Dashboard DTXSID10237486
PubChem 13245405

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