General Information of the Compound
Compound ID
CP0445212
Compound Name
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide
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Structure
Formula
C23H19F3N4O3S
Molecular Weight
488.491
Canonical SMILES
CC(=O)Nc1cc(cc2cnn(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
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InChI
InChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-19(34(32,33)29-21-7-6-18(25)11-20(21)26)10-16-13-27-30(23(16)22)9-8-15-2-4-17(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31)
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InChIKey
RIONVTZBLRESAP-UHFFFAOYSA-N
Physicochemical Property
logP
4.4555
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
93.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 122179030
ChEMBL ID
CHEMBL3581719
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: PT03938, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000742 FreeStyle 293-F Homo sapiens (Human)  1
1
IC50 = 41 nM
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