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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL327236
CHEMBL327236
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H19Cl2N3O4S2

Additional synonyms for CHEMBL327236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cc(Cl)c(cc1C(=O)Nc2sc3CCCCc3c2C#N)S(=O)(=O)N4CCOCC4
Standard InChI InChI=1S/C20H19Cl2N3O4S2/c21-15-10-16(22)18(31(27,28)25-5-7- ...
Download InChI
Standard InChI Key JMCVGASJAJMFPN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL327236

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
500.4 499.0194 4.08 4 99.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 1 7 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.31 - 3.84 3.84 2 31 0.68

Structural Alerts

There are 1 structural alerts for CHEMBL327236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JMCVGASJAJMFPN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL327236



ACToR 5913-77-9
BindingDB 50137775
Brenda 63382
eMolecules 1247484
EPA CompTox Dashboard DTXSID50360540
IBM Patent System 78B8323463264E2503CA6D85CF616FAC
Mcule MCULE-2669215969
MolPort MolPort-001-939-782
PDBe 1LG
PubChem 1124160
SureChEMBL SCHEMBL3279024
ZINC ZINC000000862376

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