General Information of the Compound
Compound ID
CP0424144
Compound Name
US8987445, 213
    Show/Hide
Structure
Formula
C30H22F3N3O5S
Molecular Weight
593.583
Canonical SMILES
Cc1c(nc(-c2cccnc2)c2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
    Show/Hide
InChI
InChI=1S/C30H22F3N3O5S/c1-19-25-6-2-3-7-26(25)27(22-5-4-16-34-17-22)35-28(19)36(18-20-8-12-23(13-9-20)41-30(31,32)33)42(39,40)24-14-10-21(11-15-24)29(37)38/h2-17H,18H2,1H3,(H,37,38)
    Show/Hide
InChIKey
RHUGXUHPJUSTDG-UHFFFAOYSA-N
Physicochemical Property
logP
6.59752
Rotatable Bonds
8
Heavy Atom Count
42
Polar Areas
109.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
42

"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: 91937529
ChEMBL ID
CHEMBL3687384
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 116 nM
   TI
   LI
   LO
   TS