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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL10247
CHEMBL10247
Compound Name THIORPHAN
ChEMBL Synonyms Thiorphan
Max Phase 0
Trade Names
Molecular Formula C12H15NO3S

Additional synonyms for CHEMBL10247 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Standard InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3 ...
Download InChI
Standard InChI Key LJJKNPQAGWVLDQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL10247

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
253.3 253.0773 1.35 6 105.2 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.48 - 1.15 -2.47 1 17 0.67

Structural Alerts

There are 7 structural alerts for CHEMBL10247. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LJJKNPQAGWVLDQ-UHFFFAOYSA-N
PubChem SID: 26753654 SID: 50107057 SID: 56463700 SID: 85231265 SID: 90341234
Wikipedia Thiorphan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL10247



ACToR 93783-79-0 76721-89-6
BindingDB 21641
ChEBI 9568
eMolecules 532385
IBM Patent System B8C962460830053F441464F2149D3ABD
KEGG Ligand C01619
LINCS LSM-1652
Nikkaji J531.930G
PubChem 3132
PubChem: Thomson Pharma 14774410
SureChEMBL SCHEMBL401174

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