General Information of the Compound
Compound ID
CP0380431
Compound Name
(Z)-1-(4-Fluoro-phenyl)-3-(hydroxy-methyl-amino)-propenone
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Structure
Formula
C10H10FNO2
Molecular Weight
195.193
Canonical SMILES
CN(O)\C=C/C(=O)c1ccc(F)cc1
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InChI
InChI=1S/C10H10FNO2/c1-12(14)7-6-10(13)8-2-4-9(11)5-3-8/h2-7,14H,1H3/b7-6-
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InChIKey
JFOPCOSRXCOPTC-SREVYHEPSA-N
Physicochemical Property
logP
1.8431
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 10352627
SID: 15364710
ChEMBL ID
CHEMBL11399
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 = 5000 nM
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