General Information of the Compound
Compound ID
CP0885795
Compound Name
SID14746324
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Structure
Formula
C14H12Cl2N2O3S
Molecular Weight
359.234
Canonical SMILES
CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C14H12Cl2N2O3S/c1-22(20,21)18-13-5-3-2-4-12(13)14(19)17-11-7-9(15)6-10(16)8-11/h2-8,18H,1H3,(H,17,19)
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InChIKey
OCMRFULKMXYDHL-UHFFFAOYSA-N
Physicochemical Property
logP
3.6172
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 1260692
ChEMBL ID
CHEMBL1575415
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 19952.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS