[3H]LY334370   

GtoPdb Ligand ID: 151

Synonyms: LY334370
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 48.13
Molecular weight 351.17
XLogP 3.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F
Isomeric SMILES CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F
InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
InChI Key MDMJLMDBRQXOOI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
Synonyms
LY334370
Database Links
ChEMBL Ligand CHEMBL101690
GtoPdb PubChem SID 135651171
PubChem CID 5311258
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