ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1929238
CHEMBL1929238
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33Cl2N5O3S

Additional synonyms for CHEMBL1929238 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c2cc(sc2NC(=O)Nc3cccc(Cl)c3Cl)C(C)( ...
Download SMILES
Standard InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35 ...
Download InChI
Standard InChI Key SIUIQMQVKUUQQF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1929238

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
554.5 553.1681 5.23 6 84.99 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 8 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.44 8.94 5.08 3.66 2 36 0.51

Structural Alerts

There are no structural alerts for CHEMBL1929238

Compound Cross References

ChemSpider ChemSpider:SIUIQMQVKUUQQF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1929238



BindingDB 50359359
IBM Patent System CC55FC873A1736B7ACC8F7BB45F565BA
PDBe P7C
PubChem 53384644
PubChem: Thomson Pharma 131528368
SureChEMBL SCHEMBL3546033
ZINC ZINC000072318122

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