General Information of the Compound
Compound ID
CP0565866
Compound Name
3-amino-2-hydroxypropanoic acid
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Structure
Formula
C3H7NO3
Molecular Weight
105.093
Canonical SMILES
NCC(O)C(O)=O
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InChI
InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)
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InChIKey
BMYNFMYTOJXKLE-UHFFFAOYSA-N
CAS
52590-58-6
565-71-9
Physicochemical Property
logP
-1.6094
Rotatable Bonds
2
Heavy Atom Count
7
Polar Areas
83.55
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
7

"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: 11267
SID: 15066087
ChEMBL ID
CHEMBL4798809
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: PT03076, Sodium- and chloride-dependent GABA transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5011.87 nM
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