General Information of the Compound
Compound ID
CP0468394
Compound Name
US8987445, 27
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Structure
Formula
C30H24N2O4S
Molecular Weight
508.599
Canonical SMILES
Cc1c(ncc2ccccc12)N(Cc1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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InChI
InChI=1S/C30H24N2O4S/c1-21-28-10-6-5-9-26(28)19-31-29(21)32(37(35,36)27-17-15-25(16-18-27)30(33)34)20-22-11-13-24(14-12-22)23-7-3-2-4-8-23/h2-19H,20H2,1H3,(H,33,34)
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InChIKey
YYEATUYGDZQZLZ-UHFFFAOYSA-N
Physicochemical Property
logP
6.30392
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
87.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
37

"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: 91937403
ChEMBL ID
CHEMBL3682551
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 = 26 nM
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