pirenperone   Click here for help

GtoPdb Ligand ID: 283

Synonyms: R-47465
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 54.68
Molecular weight 393.19
XLogP 3.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2
Isomeric SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2
InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
InChI Key HXCNRYXBZNHDNE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[2,1-b]pyrimidin-4-one
International Nonproprietary Names Click here for help
INN number INN
5065 pirenperone
Synonyms Click here for help
R-47465
Database Links Click here for help
BindingDB Ligand 50024205
CAS Registry No. 75444-65-4 (source: Scifinder)
ChEBI CHEBI:121298
ChEMBL Ligand CHEMBL18331
GtoPdb PubChem SID 135650831
PubChem CID 4847
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