General Information of the Compound
Compound ID
CP0526073
Compound Name
1'-[(1-methylimidazol-2-yl)methyl]-1-(6-methylpyridin-3-yl)spiro[indole-3,4'-piperidine]-2-one
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Structure
Formula
C23H25N5O
Molecular Weight
387.487
Canonical SMILES
Cc1ccc(cn1)N1C(=O)C2(CCN(Cc3nccn3C)CC2)c2ccccc12
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InChI
InChI=1S/C23H25N5O/c1-17-7-8-18(15-25-17)28-20-6-4-3-5-19(20)23(22(28)29)9-12-27(13-10-23)16-21-24-11-14-26(21)2/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3
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InChIKey
CSWNGHWOPOWQEI-UHFFFAOYSA-N
Physicochemical Property
logP
3.33562
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
54.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 57387778
SID: 136917819
ChEMBL ID
CHEMBL2042848
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 = 1200 nM
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