General Information of the Compound
Compound ID
CP0513807
Compound Name
2-(3,4-dichlorophenyl)-N-methoxy-N-methylcyclopent-1-enecarboxamide
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Structure
Formula
C14H15Cl2NO2
Molecular Weight
300.185
Canonical SMILES
CON(C)C(=O)C1=C(CCC1)c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C14H15Cl2NO2/c1-17(19-2)14(18)11-5-3-4-10(11)9-6-7-12(15)13(16)8-9/h6-8H,3-5H2,1-2H3
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InChIKey
KZTLVKCVXWWSHF-UHFFFAOYSA-N
Physicochemical Property
logP
3.9507
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 44443888
ChEMBL ID
CHEMBL249213
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
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
Ki = 6400 nM
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