General Information of the Compound
Compound ID
CP0539346
Compound Name
2-(5'-fluoro-2'-oxospiro[1,3-dioxepane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
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Structure
Formula
C14H15FN2O5
Molecular Weight
310.281
Canonical SMILES
ONC(=O)CN1C(=O)C2(OCCCCO2)c2cc(F)ccc12
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InChI
InChI=1S/C14H15FN2O5/c15-9-3-4-11-10(7-9)14(21-5-1-2-6-22-14)13(19)17(11)8-12(18)16-20/h3-4,7,20H,1-2,5-6,8H2,(H,16,18)
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InChIKey
HDFXHHAPPATYFT-UHFFFAOYSA-N
Physicochemical Property
logP
0.6575
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
88.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 71602398
SID: 163683507
ChEMBL ID
CHEMBL2376114
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 = 15160 nM
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