General Information of the Compound
Compound ID
CP0385613
Compound Name
4-(4-chlorophenyl)-3-phenylpyrrolidin-2-one
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Structure
Formula
C16H14ClNO
Molecular Weight
271.747
Canonical SMILES
Clc1ccc(cc1)C1CNC(=O)C1c1ccccc1
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InChI
InChI=1S/C16H14ClNO/c17-13-8-6-11(7-9-13)14-10-18-16(19)15(14)12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,18,19)
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InChIKey
UCFURURGGMKGCC-UHFFFAOYSA-N
Physicochemical Property
logP
3.3372
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 54345800
ChEMBL ID
CHEMBL2430696
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 32.7 nM
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