General Information of the Compound
Compound ID
CP0387286
Compound Name
3-[(5-methoxy-1H-indol-3-yl)methyl]-1,3-dihydroindol-2-one
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Structure
Formula
C18H16N2O2
Molecular Weight
292.338
Canonical SMILES
COc1ccc2[nH]cc(CC3C(=O)Nc4ccccc34)c2c1
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InChI
InChI=1S/C18H16N2O2/c1-22-12-6-7-16-14(9-12)11(10-19-16)8-15-13-4-2-3-5-17(13)20-18(15)21/h2-7,9-10,15,19H,8H2,1H3,(H,20,21)
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InChIKey
VCZFQCPNGXHWGP-UHFFFAOYSA-N
Physicochemical Property
logP
3.4549
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
54.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 137653608
ChEMBL ID
CHEMBL4095700
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: PT04383, G-protein coupled receptor 84
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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   LI
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