General Information of the Compound
Compound ID
CP0510128
Compound Name
5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C15H11ClF3N3O
Molecular Weight
341.72
Canonical SMILES
FC(F)(F)c1cc2N(CCc2cc1Cl)C(=O)Nc1cccnc1
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InChI
InChI=1S/C15H11ClF3N3O/c16-12-6-9-3-5-22(13(9)7-11(12)15(17,18)19)14(23)21-10-2-1-4-20-8-10/h1-2,4,6-8H,3,5H2,(H,21,23)
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InChIKey
PDBHPNFGDHQUIG-UHFFFAOYSA-N
Physicochemical Property
logP
4.3484
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 10641013
SID: 15672419
ChEMBL ID
CHEMBL296189
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 = 158.49 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 = 6.31 nM
   TI
   LI
   LO
   TS