AC-260584   Click here for help

GtoPdb Ligand ID: 334

Synonyms: AC 260584 | AC260584
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 32.78
Molecular weight 348.22
XLogP 4.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F
Isomeric SMILES CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F
InChI InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3
InChI Key BWAKMLKESHKOHK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[3-(4-butylpiperidin-1-yl)propyl]-7-fluoro-1,4-benzoxazin-3-one
Synonyms Click here for help
AC 260584 | AC260584
Database Links Click here for help
CAS Registry No. 560083-42-3 (source: Scifinder)
ChEMBL Ligand CHEMBL2022960
GtoPdb PubChem SID 135649881
PubChem CID 9928284
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