General Information of the Compound
Compound ID
CP0050744
Compound Name
5-Amino-Pentanoic Acid
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Structure
Formula
C5H11NO2
Molecular Weight
117.148
Canonical SMILES
NCCCCC(O)=O
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InChI
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
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InChIKey
JJMDCOVWQOJGCB-UHFFFAOYSA-N
CAS
660-88-8
Physicochemical Property
logP
0.2
Rotatable Bonds
4
Heavy Atom Count
8
Polar Areas
63.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
8

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 138
SID: 15242862
ChEMBL ID
CHEMBL284116
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 74131.02 nM
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