General Information of the Compound
Compound ID
CP0272725
Compound Name
3,4-dichloro-N-(1,3-dioxoisoindolin-5-yl)benzamide
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Structure
Formula
C15H8Cl2N2O3
Molecular Weight
335.146
Canonical SMILES
Clc1ccc(cc1Cl)C(=O)Nc1ccc2C(=O)NC(=O)c2c1
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InChI
InChI=1S/C15H8Cl2N2O3/c16-11-4-1-7(5-12(11)17)13(20)18-8-2-3-9-10(6-8)15(22)19-14(9)21/h1-6H,(H,18,20)(H,19,21,22)
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InChIKey
ACPFHINLHAOLJP-UHFFFAOYSA-N
Physicochemical Property
logP
3.1293
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 1249233
ChEMBL ID
CHEMBL1645310
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: PT02841, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS