General Information of the Compound
Compound ID
CP0410483
Compound Name
(Z)-1-Biphenyl-4-yl-3-(hydroxy-methyl-amino)-propenone
    Show/Hide
Structure
Formula
C16H15NO2
Molecular Weight
253.301
Canonical SMILES
CN(O)\C=C/C(=O)c1ccc(cc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,19H,1H3/b12-11-
    Show/Hide
InChIKey
ZZYCZRUJXOZHRM-QXMHVHEDSA-N
Physicochemical Property
logP
3.371
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10060825
SID: 15045147
ChEMBL ID
CHEMBL274187
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 = 60 nM
   TI
   LI
   LO
   TS