General Information of the Compound
Compound ID
CP0239701
Compound Name
N-(4-bromo-3-methylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
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Structure
Formula
C17H13BrN2O2
Molecular Weight
357.207
Canonical SMILES
Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)ccc1Br
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InChI
InChI=1S/C17H13BrN2O2/c1-10-8-11(6-7-14(10)18)20-17(22)16(21)13-9-19-15-5-3-2-4-12(13)15/h2-9,19H,1H3,(H,20,22)
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InChIKey
FIYKXMQRCJQGJI-UHFFFAOYSA-N
Physicochemical Property
logP
4.06022
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 7117377
ChEMBL ID
CHEMBL1645343
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