General Information of the Compound
Compound ID
CP0578105
Compound Name
US8987445, 150
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Structure
Formula
C30H29F3N2O5S
Molecular Weight
586.632
Canonical SMILES
CC(C)c1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(cc2)C(O)=O)c(C(C)C)c2ccccc12
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InChI
InChI=1S/C30H29F3N2O5S/c1-18(2)26-24-7-5-6-8-25(24)27(19(3)4)34-28(26)35(17-20-9-13-22(14-10-20)40-30(31,32)33)41(38,39)23-15-11-21(12-16-23)29(36)37/h5-16,18-19H,17H2,1-4H3,(H,36,37)
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InChIKey
OYJUSRVBXVBLRT-UHFFFAOYSA-N
Physicochemical Property
logP
7.4739
Rotatable Bonds
9
Heavy Atom Count
41
Polar Areas
96.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
41

"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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PubChem ID
CID: 91937461
ChEMBL ID
CHEMBL3687324
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 = 48 nM
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