General Information of the Compound
Compound ID
CP0969236
Compound Name
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxyethyl)-1-methyl-cyclobutanecarboxamide
    Show/Hide
Formula
C22H21F3N2O2
Molecular Weight
402.416
Canonical SMILES
CC1(C(=O)NCCO)CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
    Show/Hide
InChI
InChI=1S/C22H21F3N2O2/c1-22(21(29)26-6-7-28)10-13(11-22)18-16-8-15(24)9-17(25)20(16)27-19(18)12-2-4-14(23)5-3-12/h2-5,8-9,13,27-28H,6-7,10-11H2,1H3,(H,26,29)
    Show/Hide
InChIKey
AIGIFBMYIRDCQP-UHFFFAOYSA-N
Physicochemical Property
logP
4.2444
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
65.12
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
29

"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).

    Show/Hide
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: PT07126, Apolipoprotein L1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 0.25 nM
   TI
   LI
   LO
   TS