General Information of the Compound
Compound ID
CP0531422
Compound Name
4-bromo-2-methoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
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Formula
C20H17BrN2O4S
Molecular Weight
461.337
Canonical SMILES
COc1cc(Br)ccc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C20H17BrN2O4S/c1-27-19-13-14(21)7-12-18(19)20(24)22-15-8-10-17(11-9-15)28(25,26)23-16-5-3-2-4-6-16/h2-13,23H,1H3,(H,22,24)
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InChIKey
KGBPFPNBROYEDV-UHFFFAOYSA-N
Physicochemical Property
logP
4.5108
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
84.5
Hydrogen Bond Donor Count
2
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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ChEMBL ID
CHEMBL4854273
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: PT06792, Probable G-protein coupled receptor 27
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1023.29 nM
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