General Information of the Compound
Compound ID
CP0955855
Compound Name
rac-3-(1,3-Dioxoisoindolin-2-yl)-N-(4-methoxybenzyl)benzamide
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Structure
Formula
C23H18N2O4
Molecular Weight
386.407
Canonical SMILES
COc1ccc(CNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
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InChI
InChI=1S/C23H18N2O4/c1-29-18-11-9-15(10-12-18)14-24-21(26)16-5-4-6-17(13-16)25-22(27)19-7-2-3-8-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)
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InChIKey
VIKKWCHARZYALV-UHFFFAOYSA-N
Physicochemical Property
logP
3.4258
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
75.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 17171662
ChEMBL ID
CHEMBL3234530
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  1
1
AC50 > 77000 nM
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