YM 471   Click here for help

GtoPdb Ligand ID: 2205

Synonyms: YM-471
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 9
Topological polar surface area 72.96
Molecular weight 648.29
XLogP 6.75
No. Lipinski's rules broken 1
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Canonical SMILES CN(C1CCN(CC1)C(=O)C=C1c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C
Isomeric SMILES CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C
InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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 471
Other databases
BindingDB Ligand 50108498
ChEMBL Ligand CHEMBL307483
GtoPdb PubChem SID 135651348
PubChem CID 9810140
Search Google for chemical match using the InChIKey ICRPTZMWRJGNQI-CLIDGEQKSA-N
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UniChem Compound Search for chemical match using the InChIKey ICRPTZMWRJGNQI-CLIDGEQKSA-N
UniChem Connectivity Search for chemical match using the InChIKey ICRPTZMWRJGNQI-CLIDGEQKSA-N