General Information of the Compound
Compound ID
CP0441273
Compound Name
3-Morpholin-2-yl-2-phenyl-1H-indole
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Structure
Formula
C18H18N2O
Molecular Weight
278.355
Canonical SMILES
C1COC(CN1)c1c([nH]c2ccccc12)-c1ccccc1
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InChI
InChI=1S/C18H18N2O/c1-2-6-13(7-3-1)18-17(16-12-19-10-11-21-16)14-8-4-5-9-15(14)20-18/h1-9,16,19-20H,10-12H2
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InChIKey
VCPWSWCLJDFHBL-UHFFFAOYSA-N
Physicochemical Property
logP
3.4958
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
37.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 10588666
SID: 15617524
ChEMBL ID
CHEMBL40284
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 18 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1600 nM
   TI
   LI
   LO
   TS