General Information of the Compound
Compound ID
CP0483584
Compound Name
1-(2-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone
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Structure
Formula
C12H12ClNO2S
Molecular Weight
269.753
Canonical SMILES
Clc1ccccc1C(=O)C(=S)N1CCOCC1
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InChI
InChI=1S/C12H12ClNO2S/c13-10-4-2-1-3-9(10)11(15)12(17)14-5-7-16-8-6-14/h1-4H,5-8H2
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InChIKey
HILCGIQKNIGRSF-UHFFFAOYSA-N
Physicochemical Property
logP
2.1823
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 130429986
ChEMBL ID
CHEMBL4088826
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: PT04442, D-3-phosphoglycerate dehydrogenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000018 HL-60 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000588 SiHa Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000018 HL-60 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS