General Information of the Compound
Compound ID
CP0448797
Compound Name
(Z)-3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-(4-fluoro-phenyl)-propenone
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Structure
Formula
C22H18FNO2
Molecular Weight
347.389
Canonical SMILES
ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccc(F)cc1
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InChI
InChI=1S/C22H18FNO2/c23-21-12-10-20(11-13-21)22(25)14-15-24(26)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-15,26H,16H2/b15-14-
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InChIKey
HWHLPHFTCZRUQD-PFONDFGASA-N
Physicochemical Property
logP
5.0805
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 10337734
SID: 15348890
ChEMBL ID
CHEMBL11309
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 = 3000 nM
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