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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL255254
CHEMBL255254
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16ClN3OS

Additional synonyms for CHEMBL255254 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNc1ncc(s1)C(=O)Nc2c(C)cccc2Cl
Standard InChI InChI=1S/C14H16ClN3OS/c1-3-7-16-14-17-8-11(20-14)13(19)18-12 ...
Download InChI
Standard InChI Key WDRDWBPWVMWQDM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL255254

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
309.8 309.0703 4.18 5 54.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.14 2.74 2.82 2.82 2 20 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL255254. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDRDWBPWVMWQDM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL255254



BindingDB 50236486
Brenda 69747
PubChem 44447910
ZINC ZINC000029041372

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