General Information of the Compound
Compound ID
CP0379671
Compound Name
3-(2-chlorophenyl)-4-(3-chlorophenyl)pyrrolidin-2-one
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Structure
Formula
C16H13Cl2NO
Molecular Weight
306.192
Canonical SMILES
Clc1cccc(c1)C1CNC(=O)C1c1ccccc1Cl
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InChI
InChI=1S/C16H13Cl2NO/c17-11-5-3-4-10(8-11)13-9-19-16(20)15(13)12-6-1-2-7-14(12)18/h1-8,13,15H,9H2,(H,19,20)
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InChIKey
YIXJHLSDNZJSDC-UHFFFAOYSA-N
Physicochemical Property
logP
3.9906
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 72202715
ChEMBL ID
CHEMBL2430690
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 = 17.3 nM
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