General Information of the Compound
Compound ID
CP0375048
Compound Name
N-(3-methoxypropyl)-2-phenyl-N-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
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Structure
Formula
C30H37N3O2
Molecular Weight
471.645
Canonical SMILES
COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)Cc1ccccc1
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InChI
InChI=1S/C30H37N3O2/c1-35-21-7-18-33(30(34)22-25-8-3-2-4-9-25)24-28-10-5-6-11-29(28)27-14-12-26(13-15-27)23-32-19-16-31-17-20-32/h2-6,8-15,31H,7,16-24H2,1H3
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InChIKey
WPGPHIGIXSOWEF-UHFFFAOYSA-N
Physicochemical Property
logP
4.3666
Rotatable Bonds
11
Heavy Atom Count
35
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 44572030
ChEMBL ID
CHEMBL474018
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: PT01121, Motilin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 794.33 nM
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