General Information of the Compound
Compound ID
CP0505368
Compound Name
3-(Benzyl-hydroxy-amino)-1-biphenyl-4-yl-propenone
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Structure
Formula
C22H19NO2
Molecular Weight
329.399
Canonical SMILES
ON(Cc1ccccc1)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C22H19NO2/c24-22(15-16-23(25)17-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-16,25H,17H2/b16-15-
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InChIKey
QXRSVQDPDIABBH-NXVVXOECSA-N
Physicochemical Property
logP
4.9414
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 9973841
SID: 14951425
ChEMBL ID
CHEMBL132854
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 = 250 nM
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