General Information of the Compound
Compound ID
CP0207562
Compound Name
(Z)-3-(Cyclohexyl-hydroxy-amino)-1-(4-fluoro-phenyl)-propenone
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Structure
Formula
C15H18FNO2
Molecular Weight
263.312
Canonical SMILES
ON(\C=C/C(=O)c1ccc(F)cc1)C1CCCCC1
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InChI
InChI=1S/C15H18FNO2/c16-13-8-6-12(7-9-13)15(18)10-11-17(19)14-4-2-1-3-5-14/h6-11,14,19H,1-5H2/b11-10-
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InChIKey
ZHWUMBJLOKAFHW-KHPPLWFESA-N
Physicochemical Property
logP
3.546
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 9992927
SID: 14971866
ChEMBL ID
CHEMBL274373
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 270 nM
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