CYM-50358   Click here for help

GtoPdb Ligand ID: 10312

Synonyms: CYM 50358 | CYM50358
Compound class: Synthetic organic
Comment: Potent and selective S1P4 antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 68.26
Molecular weight 388.07
XLogP 4.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl
Isomeric SMILES NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl
InChI InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
InChI Key QWJOPXDAQCDRRM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
Synonyms Click here for help
CYM 50358 | CYM50358
Database Links Click here for help
GtoPdb PubChem SID 381744993
PubChem CID 53358422
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