S-14506   Click here for help

GtoPdb Ligand ID: 24

Synonyms: S 14506 | S-14,506
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 1
Rotatable bonds 7
Topological polar surface area 44.81
Molecular weight 407.2
XLogP 4.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c(ccc2)N1CCN(CC1)CCNC(=O)c1ccc(cc1)F
Isomeric SMILES COc1ccc2c(c1)c(ccc2)N1CCN(CC1)CCNC(=O)c1ccc(cc1)F
InChI InChI=1S/C24H26FN3O2/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)
InChI Key IFMQODYDAUKKEN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
Synonyms Click here for help
S 14506 | S-14,506
Database Links Click here for help
CAS Registry No. 135722-25-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1590266
GtoPdb PubChem SID 135650958
PubChem CID 131906
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Wikipedia S-14,506