General Information of the Compound
Compound ID
CP0537631
Compound Name
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide
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Structure
Formula
C21H25FN2O2S
Molecular Weight
388.508
Canonical SMILES
Fc1ccc(CN2CCc3cc(NS(=O)(=O)C4CCCCC4)ccc23)cc1
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InChI
InChI=1S/C21H25FN2O2S/c22-18-8-6-16(7-9-18)15-24-13-12-17-14-19(10-11-21(17)24)23-27(25,26)20-4-2-1-3-5-20/h6-11,14,20,23H,1-5,12-13,15H2
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InChIKey
XTMXYEVFULFOLR-UHFFFAOYSA-N
Physicochemical Property
logP
4.4628
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 155547865
ChEMBL ID
CHEMBL4534966
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: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000831 PMNL Homo sapiens (Human)  1
1
IC50 > 10000 nM
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   LI
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