Radioprotectin-1   Click here for help

GtoPdb Ligand ID: 11316

Synonyms: RP-1
Compound class: Synthetic organic
Comment: Radioprotectin-1 is a LPA2 receptor agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 130.92
Molecular weight 486.07
XLogP 4.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
Isomeric SMILES Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
InChI InChI=1S/C23H19ClN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)
InChI Key OVJUYQCJIFWMBI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-chloro-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid
Synonyms Click here for help
RP-1
Database Links Click here for help
BindingDB Ligand 50056344
ChEMBL Ligand CHEMBL3322514
GtoPdb PubChem SID 434321751
PubChem CID 77461257
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