General Information of the Compound
Compound ID
CP0282663
Compound Name
5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C23H17F6N3O3
Molecular Weight
497.395
Canonical SMILES
COc1cc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
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InChI
InChI=1S/C23H17F6N3O3/c1-34-20-9-13-4-6-32(19(13)11-18(20)22(24,25)26)21(33)31-16-7-15(14-3-2-5-30-12-14)8-17(10-16)35-23(27,28)29/h2-3,5,7-12H,4,6H2,1H3,(H,31,33)
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InChIKey
PLPFIMGOJTYGRW-UHFFFAOYSA-N
Physicochemical Property
logP
6.2692
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
63.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 44533150
SID: 131529068
ChEMBL ID
CHEMBL586213
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
TC50 = 7000 nM
   TI
   LI
   LO
   TS