General Information of the Compound
Compound ID
CP0559664
Compound Name
(1S)-1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
    Show/Hide
Structure
Formula
C24H23F3N4O3S
Molecular Weight
504.534
Canonical SMILES
FC(F)(F)c1ccc([C@H]2CCc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C24H23F3N4O3S/c25-24(26,27)17-3-6-21(22(15-17)31-10-12-34-13-11-31)20-5-2-16-14-18(4-7-19(16)20)35(32,33)30-23-28-8-1-9-29-23/h1,3-4,6-9,14-15,20H,2,5,10-13H2,(H,28,29,30)/t20-/m0/s1
    Show/Hide
InChIKey
OSIXNPCBQPAWLY-FQEVSTJZSA-N
Physicochemical Property
logP
4.2109
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
84.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
35

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 156010624
ChEMBL ID
CHEMBL4632563
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2792 nM
   TI
   LI
   LO
   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 105 nM
   TI
   LI
   LO
   TS