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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL510840
CHEMBL510840
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H20ClN3OS

Additional synonyms for CHEMBL510840 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2csc(N)c2C(=O)c3ccc(Cl)cc3)CC1
Standard InChI InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19) ...
Download InChI
Standard InChI Key FBLJFWZLJFATLC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL510840

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
349.9 349.1016 2.96 4 49.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.52 2.9 2.52 2 23 0.86

Structural Alerts

There are 2 structural alerts for CHEMBL510840. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBLJFWZLJFATLC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL510840



BindingDB 50253852
IBM Patent System 1A991DA3FA8360A1E24B9ACB9F252BCC
PubChem 25068664
PubChem: Thomson Pharma 56406851
SureChEMBL SCHEMBL1497837
ZINC ZINC000040980788

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