General Information of the Compound
Compound ID
CP0493911
Compound Name
N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C15H12F3N3O
Molecular Weight
307.275
Canonical SMILES
FC(F)(F)c1ccc2CCN(C(=O)Nc3cccnc3)c2c1
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InChI
InChI=1S/C15H12F3N3O/c16-15(17,18)11-4-3-10-5-7-21(13(10)8-11)14(22)20-12-2-1-6-19-9-12/h1-4,6,8-9H,5,7H2,(H,20,22)
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InChIKey
RAMPSIASZJKPKC-UHFFFAOYSA-N
Physicochemical Property
logP
3.695
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
45.23
Hydrogen Bond Donor Count
1
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: 10709844
SID: 15744711
ChEMBL ID
CHEMBL288108
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 501.19 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 50.12 nM
   TI
   LI
   LO
   TS