General Information of the Compound
Compound ID
CP0427785
Compound Name
4-[2-[(4-fluorophenyl)sulfonylamino]-5-methylphenoxy]benzenecarboximidamide
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Structure
Formula
C20H18FN3O3S
Molecular Weight
399.447
Canonical SMILES
Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Oc2ccc(cc2)C(N)=N)c1
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InChI
InChI=1S/C20H18FN3O3S/c1-13-2-11-18(24-28(25,26)17-9-5-15(21)6-10-17)19(12-13)27-16-7-3-14(4-8-16)20(22)23/h2-12,24H,1H3,(H3,22,23)
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InChIKey
LTZNBAGSMKVQGA-UHFFFAOYSA-N
Physicochemical Property
logP
4.01129
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
105.27
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 155563230
ChEMBL ID
CHEMBL4573405
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 = 2100 nM
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