YM 218   Click here for help

GtoPdb Ligand ID: 2204

Synonyms: YM-218
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 86.1
Molecular weight 616.29
XLogP 4.51
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N1CCC(CC1)N1CCCCC1)C=C1c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C
Isomeric SMILES O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C
InChI InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand YM 218
Other databases
ChEMBL Ligand CHEMBL3307200
GtoPdb PubChem SID 135651342
PubChem CID 9917025
Search Google for chemical match using the InChIKey VDUUABBYYOPFAW-WMMMYUQOSA-N
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UniChem Compound Search for chemical match using the InChIKey VDUUABBYYOPFAW-WMMMYUQOSA-N
UniChem Connectivity Search for chemical match using the InChIKey VDUUABBYYOPFAW-WMMMYUQOSA-N