General Information of the Compound
Compound ID
CP0817966
Compound Name
SID49819127
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Structure
Formula
C11H10Cl2N2OS
Molecular Weight
289.187
Canonical SMILES
O=C(NC(=S)Nc1cccc(Cl)c1Cl)C1CC1
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InChI
InChI=1S/C11H10Cl2N2OS/c12-7-2-1-3-8(9(7)13)14-11(17)15-10(16)6-4-5-6/h1-3,6H,4-5H2,(H2,14,15,16,17)
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InChIKey
WCQVLISTZJPTJV-UHFFFAOYSA-N
Physicochemical Property
logP
3.2164
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 952267
ChEMBL ID
CHEMBL1332619
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: 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 ~ 7307.8 nM
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