General Information of the Compound
Compound ID
CP0467898
Compound Name
4-fluoro-N-(3-(1-(2-hydroxyethyl)piperidin-4-yl)-1H-indol-5-yl)benzamide
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Structure
Formula
C22H24FN3O2
Molecular Weight
381.451
Canonical SMILES
OCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
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InChI
InChI=1S/C22H24FN3O2/c23-17-3-1-16(2-4-17)22(28)25-18-5-6-21-19(13-18)20(14-24-21)15-7-9-26(10-8-15)11-12-27/h1-6,13-15,24,27H,7-12H2,(H,25,28)
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InChIKey
XATLLXPHWUBXET-UHFFFAOYSA-N
Physicochemical Property
logP
3.731
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
68.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44585928
ChEMBL ID
CHEMBL483498
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: PT01202, 5-hydroxytryptamine receptor 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS