General Information of the Compound
Compound ID
CP0240356
Compound Name
2-[2-(2-methoxyethoxy)ethoxy]-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]acetamide
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Structure
Formula
C15H20N4O6S2
Molecular Weight
416.481
Canonical SMILES
COCCOCCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
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InChI
InChI=1S/C15H20N4O6S2/c1-23-6-7-24-8-9-25-10-14(20)17-12-2-4-13(5-3-12)27(21,22)19-15-18-16-11-26-15/h2-5,11H,6-10H2,1H3,(H,17,20)(H,18,19)
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InChIKey
FOURIWOYGUHXMN-UHFFFAOYSA-N
Physicochemical Property
logP
0.957
Rotatable Bonds
12
Heavy Atom Count
27
Polar Areas
128.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
27

"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: 46226697
ChEMBL ID
CHEMBL611216
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000448 BxPC-3 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 20410 nM
2 Ki > 50000 nM