General Information of the Compound
Compound ID
CP0386324
Compound Name
N-[4-[(4-methoxyanilino)sulfamoyl]phenyl]acetamide
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Structure
Formula
C15H17N3O4S
Molecular Weight
335.385
Canonical SMILES
COc1ccc(NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
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InChI
InChI=1S/C15H17N3O4S/c1-11(19)16-12-5-9-15(10-6-12)23(20,21)18-17-13-3-7-14(22-2)8-4-13/h3-10,17-18H,1-2H3,(H,16,19)
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InChIKey
XQBPLHDYONJVBX-UHFFFAOYSA-N
Physicochemical Property
logP
1.959
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
96.53
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 118706837
ChEMBL ID
CHEMBL3310848
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 > 10000 nM
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   LI
   LO
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