General Information of the Compound
Compound ID
CP0381678
Compound Name
4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-phenylethyl)benzamide
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Structure
Formula
C24H23ClN2O3
Molecular Weight
422.912
Canonical SMILES
Clc1ccc(CNC(=O)COc2ccc(cc2)C(=O)NCCc2ccccc2)cc1
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InChI
InChI=1S/C24H23ClN2O3/c25-21-10-6-19(7-11-21)16-27-23(28)17-30-22-12-8-20(9-13-22)24(29)26-15-14-18-4-2-1-3-5-18/h1-13H,14-17H2,(H,26,29)(H,27,28)
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InChIKey
NHKDFNOWLZHQOV-UHFFFAOYSA-N
Physicochemical Property
logP
4.0077
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 122189455
ChEMBL ID
CHEMBL3613976
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: PT03624, Phosphatidylcholine:ceramide cholinephosphotransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 100000 nM
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   LI
   LO
   TS