General Information of the Compound
Compound ID
CP0560281
Compound Name
N,N-diethyl-2-[N-[[4-(2-fluoroethoxy)phenyl]methyl]-3,5-dimethylanilino]acetamide
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Formula
C23H31FN2O2
Molecular Weight
386.511
Canonical SMILES
CCN(CC)C(=O)CN(Cc1ccc(OCCF)cc1)c1cc(C)cc(C)c1
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InChI
InChI=1S/C23H31FN2O2/c1-5-25(6-2)23(27)17-26(21-14-18(3)13-19(4)15-21)16-20-7-9-22(10-8-20)28-12-11-24/h7-10,13-15H,5-6,11-12,16-17H2,1-4H3
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InChIKey
CCHYYOJENQTOBD-UHFFFAOYSA-N
Physicochemical Property
logP
4.52674
Rotatable Bonds
10
Heavy Atom Count
28
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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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ChEMBL ID
CHEMBL4799027
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS