General Information of the Compound
Compound ID
CP0576376
Compound Name
2-(cyclopropylsulfonylamino)-5-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
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Structure
Formula
C19H19F3N2O4S
Molecular Weight
428.432
Canonical SMILES
Cc1ccc(NS(=O)(=O)C2CC2)c(c1)C(=O)Nc1ccccc1OCC(F)(F)F
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InChI
InChI=1S/C19H19F3N2O4S/c1-12-6-9-15(24-29(26,27)13-7-8-13)14(10-12)18(25)23-16-4-2-3-5-17(16)28-11-19(20,21)22/h2-6,9-10,13,24H,7-8,11H2,1H3,(H,23,25)
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InChIKey
QYQMZGWSNSYHHI-UHFFFAOYSA-N
Physicochemical Property
logP
4.09252
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 168272667
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: PT04369, Mas-related G-protein coupled receptor member X1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 369 nM
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