General Information of the Compound
Compound ID
CP0521794
Compound Name
2-[1-(cyclopropylmethyl)-5-(4-phenoxyphenyl)indol-3-yl]acetamide
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Structure
Formula
C26H24N2O2
Molecular Weight
396.49
Canonical SMILES
NC(=O)Cc1cn(CC2CC2)c2ccc(cc12)-c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C26H24N2O2/c27-26(29)15-21-17-28(16-18-6-7-18)25-13-10-20(14-24(21)25)19-8-11-23(12-9-19)30-22-4-2-1-3-5-22/h1-5,8-14,17-18H,6-7,15-16H2,(H2,27,29)
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InChIKey
VIZXQDDFYADWKU-UHFFFAOYSA-N
Physicochemical Property
logP
5.5384
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
57.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 44439269
ChEMBL ID
CHEMBL399815
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: PT02363, Protein-S-isoprenylcysteine O-methyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100000 nM
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