General Information of the Compound
Compound ID
CP0482744
Compound Name
N-[2-[(2-amino-1,3-benzothiazol-5-yl)oxy]-4-methylphenyl]-2-methoxybenzenesulfonamide
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Structure
Formula
C21H19N3O4S2
Molecular Weight
441.534
Canonical SMILES
COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2sc(N)nc2c1
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InChI
InChI=1S/C21H19N3O4S2/c1-13-7-9-15(24-30(25,26)20-6-4-3-5-17(20)27-2)18(11-13)28-14-8-10-19-16(12-14)23-21(22)29-19/h3-12,24H,1-2H3,(H2,22,23)
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InChIKey
CXJSZPACGPCOSU-UHFFFAOYSA-N
Physicochemical Property
logP
4.78862
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
103.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 155518320
ChEMBL ID
CHEMBL4445906
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 > 100000 nM
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