General Information of the Compound
Compound ID
CP0433960
Compound Name
3-N,3-N-diethyl-2-N-(thiophene-2-)thiophene-2,3-diamido
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Structure
Formula
C14H16N2O2S2
Molecular Weight
308.428
Canonical SMILES
CCN(CC)C(=O)c1ccsc1NC(=O)c1cccs1
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InChI
InChI=1S/C14H16N2O2S2/c1-3-16(4-2)14(18)10-7-9-20-13(10)15-12(17)11-6-5-8-19-11/h5-9H,3-4H2,1-2H3,(H,15,17)
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InChIKey
HDBFITVULURPOH-UHFFFAOYSA-N
Physicochemical Property
logP
3.5439
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 24901561
ChEMBL ID
CHEMBL228688
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: PT01160, Kinesin-like protein KIF11
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
EC50 < 30000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
EC50 < 30000 nM
   TI
   LI
   LO
   TS