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CPP-115

CAT: 1410-M15436-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CPP-115 is an orally available, small molecule, next-generation GABA aminotransferase (GABA-AT) inhibitor with Ki of 31 uM.
CAS Number
640897-20-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
177.151
Molecular Formula
C7H9F2NO2
Notes
Research use only, not for human use.
Receptor
GAT

Chemical Information

CPP-115 free base
CAS Number640897-20-7
PubChem CID9794014
IUPAC Namecis-(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
Molecular FormulaC7H9F2NO2
Molecular Weight177.15
XLogP-2.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity236
SMILES
C1[C@H](CC(=C(F)F)[C@H]1N)C(=O)O
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
InChIKey
CBSRETZPFOBWNG-UCORVYFPSA-N
Chemical Structure
2D Structure
2D structure of CPP-115 free base
CAS: 640897-20-7
CID: 9794014
Formula: C7H9F2NO2
MW: 177.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.15
XLogP3-2.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass177.06013485
Monoisotopic Mass177.06013485
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-116910CPP-115
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