General Information of the Compound
Compound ID
CP0452230
Compound Name
N-[4,6-dichloro-3-(3,4-dichlorophenyl)-2-oxo-1H-indol-3-yl]-2-[4-(dimethylamino)piperidin-1-yl]acetamide
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Structure
Formula
C23H24Cl4N4O2
Molecular Weight
530.283
Canonical SMILES
CN(C)C1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)cc(Cl)c23)c2ccc(Cl)c(Cl)c2)CC1
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InChI
InChI=1S/C23H24Cl4N4O2/c1-30(2)15-5-7-31(8-6-15)12-20(32)29-23(13-3-4-16(25)17(26)9-13)21-18(27)10-14(24)11-19(21)28-22(23)33/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,28,33)(H,29,32)
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InChIKey
CNUUXHYIKFTOPT-UHFFFAOYSA-N
Physicochemical Property
logP
4.6381
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
64.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 71462272
ChEMBL ID
CHEMBL2164502
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 = 239 nM
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