General Information of the Compound
Compound ID
CP0576377
Compound Name
5-chloro-2-(cyclopropylsulfonylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
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Structure
Formula
C18H16ClF3N2O4S
Molecular Weight
448.85
Canonical SMILES
FC(F)(F)COc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1
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InChI
InChI=1S/C18H16ClF3N2O4S/c19-11-5-8-14(24-29(26,27)12-6-7-12)13(9-11)17(25)23-15-3-1-2-4-16(15)28-10-18(20,21)22/h1-5,8-9,12,24H,6-7,10H2,(H,23,25)
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InChIKey
ISBZEOAGWOJJGH-UHFFFAOYSA-N
Physicochemical Property
logP
4.4375
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: 168270533
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 = 915 nM
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