General Information of the Compound
Compound ID
CP0545595
Compound Name
US9422293, 361
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Structure
Formula
C24H23F6N5O2S2
Molecular Weight
591.603
Canonical SMILES
CC(C)Sc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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InChI
InChI=1S/C24H23F6N5O2S2/c1-14(2)38-22-33-19-10-13-35(21-18(23(25,26)27)4-3-11-31-21)12-9-17(19)20(34-22)32-15-5-7-16(8-6-15)39(36,37)24(28,29)30/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,32,33,34)
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InChIKey
XQNYVOODZMWVOV-UHFFFAOYSA-N
Physicochemical Property
logP
6.0332
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
88.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
39

"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: 58972758
ChEMBL ID
CHEMBL3920308
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1530 nM
   TI
   LI
   LO
   TS