General Information of the Compound
Compound ID
CP0148151
Compound Name
4-(Hydroxyamino)-4-oxobutanoic acid
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Structure
Formula
C4H7NO4
Molecular Weight
133.103
Canonical SMILES
ONC(=O)CCC(O)=O
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InChI
InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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InChIKey
AGEUQNZXCIVHPB-UHFFFAOYSA-N
CAS
4743-99-1
Physicochemical Property
logP
-0.6434
Rotatable Bonds
3
Heavy Atom Count
9
Polar Areas
86.63
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
9

"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: 252439
SID: 15119964
ChEMBL ID
CHEMBL51979
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: PT03543, Lysine-specific demethylase 5C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS