General Information of the Compound
Compound ID
CP0538350
Compound Name
3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-furan-2-yl-propenone
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Structure
Formula
C20H17NO3
Molecular Weight
319.36
Canonical SMILES
ON(Cc1ccc(cc1)-c1ccccc1)\C=C/C(=O)c1ccco1
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InChI
InChI=1S/C20H17NO3/c22-19(20-7-4-14-24-20)12-13-21(23)15-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-14,23H,15H2/b13-12-
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InChIKey
MTMQWPWMVWRRTD-SEYXRHQNSA-N
Physicochemical Property
logP
4.5344
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
53.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 9996060
SID: 14975391
ChEMBL ID
CHEMBL130157
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 = 3100 nM
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