General Information of the Compound
Compound ID
CP0442260
Compound Name
US8987445, 139
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Structure
Formula
C27H24N2O4S
Molecular Weight
472.566
Canonical SMILES
Cc1c(nc(C2CC2)c2ccccc12)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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InChI
InChI=1S/C27H24N2O4S/c1-18-23-9-5-6-10-24(23)25(20-11-12-20)28-26(18)29(17-19-7-3-2-4-8-19)34(32,33)22-15-13-21(14-16-22)27(30)31/h2-10,13-16,20H,11-12,17H2,1H3,(H,30,31)
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InChIKey
KDAVDSCZDLTHRU-UHFFFAOYSA-N
Physicochemical Property
logP
5.51432
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
87.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 91937446
ChEMBL ID
CHEMBL3682616
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 = 12 nM
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