General Information of the Compound
Compound ID
CP0352632
Compound Name
5-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-fluoro-N-(4-methylphenyl)benzamide
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Structure
Formula
C22H25FN2O3S
Molecular Weight
416.518
Canonical SMILES
Cc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCCC2=CCCCC2)cc1
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InChI
InChI=1S/C22H25FN2O3S/c1-16-7-9-18(10-8-16)25-22(26)20-15-19(11-12-21(20)23)29(27,28)24-14-13-17-5-3-2-4-6-17/h5,7-12,15,24H,2-4,6,13-14H2,1H3,(H,25,26)
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InChIKey
DEYZPKXWKQBAOA-UHFFFAOYSA-N
Physicochemical Property
logP
4.55522
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 5139896
ChEMBL ID
CHEMBL1560290
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 ~ 32642.7 nM
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