General Information of the Compound
Compound ID
CP0548158
Compound Name
1'-[(1-methylimidazol-2-yl)methyl]-1-phenylspiro[indole-3,4'-piperidine]-2-one
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Structure
Formula
C23H24N4O
Molecular Weight
372.472
Canonical SMILES
Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccccc21)c1ccccc1
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InChI
InChI=1S/C23H24N4O/c1-25-16-13-24-21(25)17-26-14-11-23(12-15-26)19-9-5-6-10-20(19)27(22(23)28)18-7-3-2-4-8-18/h2-10,13,16H,11-12,14-15,17H2,1H3
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InChIKey
RWVOHPBNVXZGQJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6322
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 57385246
SID: 136915130
ChEMBL ID
CHEMBL2042130
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 = 640 nM
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