General Information of the Compound
Compound ID
CP0380106
Compound Name
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
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Structure
Formula
C14H16N4O5S2
Molecular Weight
384.439
Canonical SMILES
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C14H16N4O5S2/c1-10(19)16-11-2-8-14(9-3-11)25(22,23)18-17-12-4-6-13(7-5-12)24(15,20)21/h2-9,17-18H,1H3,(H,16,19)(H2,15,20,21)
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InChIKey
CYJCRDHGXBEJHL-UHFFFAOYSA-N
Physicochemical Property
logP
0.5978
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
147.46
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 3595344
ChEMBL ID
CHEMBL3310850
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 = 3118 nM
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