[35S]ACPPB   Click here for help

GtoPdb Ligand ID: 4584

Synonyms: [35S]-ACPPB
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 100.88
Molecular weight 463.17
XLogP 4.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCS(=O)(=O)N1CCC(CC1)(c1ccccc1)C(NC(=O)c1c(N)cccc1Cl)C
Isomeric SMILES CCC[35S](=O)(=O)N1CCC(CC1)(c1ccccc1)[C@@H](NC(=O)c1c(N)cccc1Cl)C
InChI InChI=1S/C23H30ClN3O3S/c1-3-16-31(29,30)27-14-12-23(13-15-27,18-8-5-4-6-9-18)17(2)26-22(28)21-19(24)10-7-11-20(21)25/h4-11,17H,3,12-16,25H2,1-2H3,(H,26,28)/t17-/m0/s1/i31+3
InChI Key CPNFHRRINJHHNO-BMHXGNRYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-6-chloro-N-[(1S)-1-{4-phenyl-1-[propane-1-(35S)sulfonyl]piperidin-4-yl}ethyl]benzamide
Synonyms Click here for help
[35S]-ACPPB
Database Links Click here for help
ChEMBL Ligand CHEMBL1628593
GtoPdb PubChem SID 178101305
PubChem CID 53321933
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