General Information of the Compound
Compound ID
CP0393569
Compound Name
5-propan-2-yl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C18H18F3N3O
Molecular Weight
349.356
Canonical SMILES
CC(C)c1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
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InChI
InChI=1S/C18H18F3N3O/c1-11(2)14-8-12-5-7-24(16(12)9-15(14)18(19,20)21)17(25)23-13-4-3-6-22-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,23,25)
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InChIKey
OAUHUDOIVTUQCC-UHFFFAOYSA-N
Physicochemical Property
logP
4.8184
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 10593918
SID: 15623067
ChEMBL ID
CHEMBL443518
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 < 6309.57 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 = 25.12 nM
   TI
   LI
   LO
   TS