CPP-115   Click here for help

GtoPdb Ligand ID: 8284

Synonyms: compound 12 [PMID 25616005] [2]
Compound class: Synthetic organic
Comment: CPP-115 is a vigabatrin analogue with improved tolerability compared to the parent compound [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 63.32
Molecular weight 177.06
XLogP -0.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1CC(=C(F)F)C(C1)N
Isomeric SMILES OC(=O)[C@H]1CC(=C(F)F)[C@H](C1)N
InChI InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1
InChI Key CBSRETZPFOBWNG-UCORVYFPSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
Synonyms Click here for help
compound 12 [PMID 25616005] [2]
Database Links Click here for help
CAS Registry No. 640897-20-7
ChEMBL Ligand CHEMBL146927
GtoPdb PubChem SID 252166496
PubChem CID 9794014
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