General Information of the Compound
Compound ID
CP0191915
Compound Name
N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]decanamide
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Structure
Formula
C18H26N4O3S2
Molecular Weight
410.565
Canonical SMILES
CCCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nncs1
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InChI
InChI=1S/C18H26N4O3S2/c1-2-3-4-5-6-7-8-9-17(23)20-15-10-12-16(13-11-15)27(24,25)22-18-21-19-14-26-18/h10-14H,2-9H2,1H3,(H,20,23)(H,21,22)
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InChIKey
YWVBYQMBZAUQKJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4181
Rotatable Bonds
12
Heavy Atom Count
27
Polar Areas
101.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 44555483
SID: 87238932
ChEMBL ID
CHEMBL595582
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 = 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 19600 nM
2 Ki = 21800 nM