General Information of the Compound
Compound ID
CP0558459
Compound Name
2-(5'-fluoro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
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Structure
Formula
C12H11FN2O5
Molecular Weight
282.227
Canonical SMILES
ONC(=O)CN1C(=O)C2(OCCO2)c2cc(F)ccc12
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InChI
InChI=1S/C12H11FN2O5/c13-7-1-2-9-8(5-7)12(19-3-4-20-12)11(17)15(9)6-10(16)14-18/h1-2,5,18H,3-4,6H2,(H,14,16)
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InChIKey
OTTUBZGGNGSHKW-UHFFFAOYSA-N
Physicochemical Property
logP
-0.1227
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
88.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 71603241
SID: 163684547
ChEMBL ID
CHEMBL2376105
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: PT01820, Aminopeptidase N
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000377 ES-2 Homo sapiens (Human)  1
1
IC50 = 16190 nM
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