General Information of the Compound
Compound ID
CP0858023
Compound Name
N-(2-thioxoimidazolidine-1-carbothioyl)-2-fluorobenzamide
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Structure
Formula
C11H10FN3OS2
Molecular Weight
283.353
Canonical SMILES
O=C(NC(=S)N1CCNC1=S)c1ccccc1F
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InChI
InChI=1S/C11H10FN3OS2/c12-8-4-2-1-3-7(8)9(16)14-11(18)15-6-5-13-10(15)17/h1-4H,5-6H2,(H,13,17)(H,14,16,18)
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InChIKey
SGXNNJIMEYPIKP-UHFFFAOYSA-N
Physicochemical Property
logP
1.0305
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
44.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 9921858
SID: 14893461
ChEMBL ID
CHEMBL3717690
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: PT06269, G-protein coupled receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 43000 nM
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