General Information of the Compound
Compound ID
CP0442042
Compound Name
US8987445, 89
    Show/Hide
Structure
Formula
C30H23FN2O4S
Molecular Weight
526.589
Canonical SMILES
Cc1c(ncc2ccccc12)N(Cc1ccc(cc1)-c1cccc(F)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
    Show/Hide
InChI
InChI=1S/C30H23FN2O4S/c1-20-28-8-3-2-5-25(28)18-32-29(20)33(38(36,37)27-15-13-23(14-16-27)30(34)35)19-21-9-11-22(12-10-21)24-6-4-7-26(31)17-24/h2-18H,19H2,1H3,(H,34,35)
    Show/Hide
InChIKey
GPTIJXHSMJEHAB-UHFFFAOYSA-N
Physicochemical Property
logP
6.44302
Rotatable Bonds
7
Heavy Atom Count
38
Polar Areas
87.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
38

"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: 68310792
ChEMBL ID
CHEMBL3682581
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 = 15 nM
   TI
   LI
   LO
   TS