General Information of the Compound
Compound ID
CP0446327
Compound Name
N-[5,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide
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Structure
Formula
C21H23Cl3N4O2
Molecular Weight
469.8
Canonical SMILES
CN(C)CCN(C)CC(=O)NC1(C(=O)Nc2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1
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InChI
InChI=1S/C21H23Cl3N4O2/c1-27(2)8-9-28(3)12-19(29)26-21(13-4-6-14(22)7-5-13)15-10-16(23)17(24)11-18(15)25-20(21)30/h4-7,10-11H,8-9,12H2,1-3H3,(H,25,30)(H,26,29)
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InChIKey
CGLGARPXJYLEAR-UHFFFAOYSA-N
Physicochemical Property
logP
3.4521
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
64.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 71449752
SID: 163443338
ChEMBL ID
CHEMBL2164824
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: PT01155, Growth hormone secretagogue receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000643 CHO-K1/CRE-Luc Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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   LI
   LO
   TS