General Information of the Compound
Compound ID
CP0040216
Compound Name
2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylacetamide
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Synonyms
142720-24-9
1H-Indole-3-acetamide, 2-(4-fluorophenyl)-N,N-dihexyl-
2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylacetamide
2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
AC1L313J
BPBio1_001277
Biomol-NT_000279
CHEBI:92171
CHEMBL63154
CTK8E7869
DTXSID90162141
FGIN-1-27
FGIN1-27
Fgin 1 27
Fgin 1-27
Lopac-D-8555
Lopac0_000453
MLS002153299
N,N-Di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide
SCHEMBL1229718
SR-01000075838
Tocris-0658
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Structure
Formula
C28H37FN2O
Molecular Weight
436.615
Canonical SMILES
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
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InChI
InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3
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InChIKey
VUWXAQFLTSBUDB-UHFFFAOYSA-N
CAS
142720-24-9
Physicochemical Property
logP
7.5057
Rotatable Bonds
13
Heavy Atom Count
32
Polar Areas
36.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
32

"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: 132496
SID: 14930297
ChEMBL ID
CHEMBL63154
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  2
1
Potency ~ 5993.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Potency ~ 29092.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( FGIN-1-27 )
Drug Name FGIN-1-27
Target(s)
Translocator protein (TSPO)
 Target Info 
Binder