General Information of the Compound
Compound ID
CP0920512
Compound Name
3-(Biphenyl-4-ylmethyl-hydroxy-amino)-1-cyclopropyl-propenone
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Structure
Formula
C19H19NO2
Molecular Weight
293.366
Canonical SMILES
O=C(/C=C\N(O)Cc1ccc(-c2ccccc2)cc1)C1CC1
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InChI
InChI=1S/C19H19NO2/c21-19(18-10-11-18)12-13-20(22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,12-13,18,22H,10-11,14H2/b13-12-
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InChIKey
QYPITKAGOUDGJG-SEYXRHQNSA-N
Physicochemical Property
logP
4.0376
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 10017276
SID: 14998216
ChEMBL ID
CHEMBL131359
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 = 1200 nM
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