General Information of the Compound
Compound ID
CP0523069
Compound Name
1-benzyl-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
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Structure
Formula
C24H26N4O
Molecular Weight
386.499
Canonical SMILES
Cn1ccnc1CN1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccccc21
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InChI
InChI=1S/C24H26N4O/c1-26-16-13-25-22(26)18-27-14-11-24(12-15-27)20-9-5-6-10-21(20)28(23(24)29)17-19-7-3-2-4-8-19/h2-10,13,16H,11-12,14-15,17-18H2,1H3
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InChIKey
JZDSQLPTKPSRKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5007
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 57385492
SID: 136915396
ChEMBL ID
CHEMBL2042126
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 = 6600 nM
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