General Information of the Compound
Compound ID
CP0527484
Compound Name
2-(5'-fluoro-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
    Show/Hide
Structure
Formula
C13H13FN2O5
Molecular Weight
296.254
Canonical SMILES
ONC(=O)CN1C(=O)C2(OCCCO2)c2cc(F)ccc12
    Show/Hide
InChI
InChI=1S/C13H13FN2O5/c14-8-2-3-10-9(6-8)13(20-4-1-5-21-13)12(18)16(10)7-11(17)15-19/h2-3,6,19H,1,4-5,7H2,(H,15,17)
    Show/Hide
InChIKey
ZRZSKQQTDOUDEB-UHFFFAOYSA-N
Physicochemical Property
logP
0.2674
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
88.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71603244
SID: 163684550
ChEMBL ID
CHEMBL2376109
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 = 97490 nM
   TI
   LI
   LO
   TS