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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1551903
CHEMBL1551903
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19Cl2N3O3S

Additional synonyms for CHEMBL1551903 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSCc2c(C)onc2C
Standard InChI InChI=1S/C17H19Cl2N3O3S/c1-10-13(11(2)25-21-10)8-26-9-17(24) ...
Download InChI
Standard InChI Key SCHQPWPELTVUAM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1551903

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
416.3 415.0524 3.93 7 75.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.06 - 3.77 3.77 2 26 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL1551903. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SCHQPWPELTVUAM-UHFFFAOYSA-N
PubChem SID: 56323974

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1551903



BindingDB 66971
eMolecules 18871880
Mcule MCULE-9115911412
MolPort MolPort-006-050-642
PubChem 24982749
ZINC ZINC000021272957

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