General Information of the Compound
Compound ID
CP0523072
Compound Name
2-(2-oxo-1-phenylspiro[indole-3,4'-piperidine]-1'-yl)acetic acid
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Structure
Formula
C20H20N2O3
Molecular Weight
336.391
Canonical SMILES
OC(=O)CN1CCC2(CC1)C(=O)N(c1ccccc21)c1ccccc1
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InChI
InChI=1S/C20H20N2O3/c23-18(24)14-21-12-10-20(11-13-21)16-8-4-5-9-17(16)22(19(20)25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,24)
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InChIKey
KYZUKYGIXBWSKG-UHFFFAOYSA-N
Physicochemical Property
logP
2.7831
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
60.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 57386009
SID: 136915935
ChEMBL ID
CHEMBL2042409
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: PT02612, Egl nine homolog 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 15300 nM
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