General Information of the Compound
Compound ID
CP0919448
Compound Name
1-(biphenyl)-3-benzyl-3-acetyloxyamino-propenone
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Structure
Formula
C24H21NO3
Molecular Weight
371.436
Canonical SMILES
CC(=O)ON(/C=C\C(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1
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InChI
InChI=1S/C24H21NO3/c1-19(26)28-25(18-20-8-4-2-5-9-20)17-16-24(27)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-17H,18H2,1H3/b17-16-
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InChIKey
XNJNIOGSNJYFTB-MSUUIHNZSA-N
Physicochemical Property
logP
5.0303
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 10361860
SID: 15375159
ChEMBL ID
CHEMBL130334
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 > 25000 nM
   TI
   LI
   LO
   TS