General Information of the Compound
Compound ID
CP0482565
Compound Name
2-(3,4-dichlorophenyl)-N-(1H-indol-5-yl)acetamide
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Structure
Formula
C16H12Cl2N2O
Molecular Weight
319.191
Canonical SMILES
Clc1ccc(CC(=O)Nc2ccc3[nH]ccc3c2)cc1Cl
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InChI
InChI=1S/C16H12Cl2N2O/c17-13-3-1-10(7-14(13)18)8-16(21)20-12-2-4-15-11(9-12)5-6-19-15/h1-7,9,19H,8H2,(H,20,21)
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InChIKey
DZNFCZWGRZPKIE-UHFFFAOYSA-N
Physicochemical Property
logP
4.6559
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 155532636
ChEMBL ID
CHEMBL4467709
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
Ki = 390 nM
   TI
   LI
   LO
   TS