compound 65 [PMID: 36126387]   Click here for help

GtoPdb Ligand ID: 12523

Synonyms: LPA5 antagonist 2
Compound class: Synthetic organic
Comment: This compound (65) is a lysophosphatidic acid receptor 5 (LPA5) antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 84.38
Molecular weight 480.55
XLogP 2.53
No. Lipinski's rules broken 0
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Canonical SMILES CC1=CSC2=C1C=C(C=C2)N3C=C(C4=C(C=C(C(=C4)OC)OC)C3=O)C(=O)N5CCC(CC5)F
Isomeric SMILES FC1CCN(CC1)C(=O)C2=CN(C(C3=CC(=C(C=C23)OC)OC)=O)C4=CC5=C(SC=C5C)C=C4
InChI InChI=1S/C26H25FN2O4S/c1-15-14-34-24-5-4-17(10-18(15)24)29-13-21(25(30)28-8-6-16(27)7-9-28)19-11-22(32-2)23(33-3)12-20(19)26(29)31/h4-5,10-14,16H,6-9H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
LPA5 antagonist 2
Database Links Click here for help
Specialist databases
GPCRdb Ligand compound 65 [PMID: 36126387]
Other databases
GtoPdb PubChem SID 479821313
PubChem CID 165412766
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