General Information of the Compound
Compound ID
CP0482810
Compound Name
US9434711, 89
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Structure
Formula
C24H27ClN2O4S2
Molecular Weight
507.077
Canonical SMILES
CC(C)(C)OC(=O)N1CCCC1CN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C24H27ClN2O4S2/c1-24(2,3)31-23(28)26-15-9-10-17(26)16-27(33(29,30)18-11-5-4-6-12-18)22-21(25)19-13-7-8-14-20(19)32-22/h4-8,11-14,17H,9-10,15-16H2,1-3H3
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InChIKey
FULUTIYSYXAVHV-UHFFFAOYSA-N
Physicochemical Property
logP
6.1495
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
66.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 66907857
ChEMBL ID
CHEMBL3953690
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: PT00608, Transient receptor potential M8 protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 205 nM
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