General Information of the Compound
Compound ID
CP0501616
Compound Name
2-[5-(3-methylphenyl)-1-(naphthalen-2-ylmethyl)indol-3-yl]acetamide
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Structure
Formula
C28H24N2O
Molecular Weight
404.513
Canonical SMILES
Cc1cccc(c1)-c1ccc2n(Cc3ccc4ccccc4c3)cc(CC(N)=O)c2c1
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InChI
InChI=1S/C28H24N2O/c1-19-5-4-8-22(13-19)24-11-12-27-26(15-24)25(16-28(29)31)18-30(27)17-20-9-10-21-6-2-3-7-23(21)14-20/h2-15,18H,16-17H2,1H3,(H2,29,31)
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InChIKey
VEFRJIAKULGZRP-UHFFFAOYSA-N
Physicochemical Property
logP
5.84602
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
48.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
31

"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: 44439219
ChEMBL ID
CHEMBL428034
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 = 17378.01 nM
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