General Information of the Compound
Compound ID
CP0414265
Compound Name
N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-4-(phenoxymethyl)benzamide
    Show/Hide
Structure
Formula
C24H31N3O2
Molecular Weight
393.531
Canonical SMILES
CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C24H31N3O2/c1-26-14-12-22(13-15-26)27-16-11-21(17-27)25-24(28)20-9-7-19(8-10-20)18-29-23-5-3-2-4-6-23/h2-10,21-22H,11-18H2,1H3,(H,25,28)
    Show/Hide
InChIKey
FCRXDUDCXBXTCT-UHFFFAOYSA-N
Physicochemical Property
logP
3.1639
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118710998
ChEMBL ID
CHEMBL3325449
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: PT01521, Sodium- and chloride-dependent glycine transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 879 nM
   TI
   LI
   LO
   TS