ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571448
CHEMBL1571448
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H12Cl2N2O2S

Additional synonyms for CHEMBL1571448 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(c(Cl)c1)c2csc(NC(=O)C3CCCO3)n2
Standard InChI InChI=1S/C14H12Cl2N2O2S/c15-8-3-4-9(10(16)6-8)11-7-21-14(17- ...
Download InChI
Standard InChI Key LYLIYECAEZMBJK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571448

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
343.2 341.9997 3.56 3 79.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.07 .87 3.85 3.36 2 21 0.93

Structural Alerts

There are 1 structural alerts for CHEMBL1571448. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LYLIYECAEZMBJK-UHFFFAOYSA-N
PubChem SID: 22405455

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571448



eMolecules 4022055
Mcule MCULE-3926202477
MolPort MolPort-003-424-326
PubChem 4145863

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