7-fluorochromone-2-carboxamide   

GtoPdb Ligand ID: 1303

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 81.01
Molecular weight 424.14
XLogP 3.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2
Isomeric SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
InChI Key FVFURMJFTAJXRH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
Database Links
BindingDB Ligand 50197139
ChEMBL Ligand CHEMBL214021
GtoPdb PubChem SID 135649860
PubChem CID 11539096
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