General Information of the Compound
Compound ID
CP0442734
Compound Name
N-[1-[4-(9H-fluoren-2-yloxy)phenyl]ethyl]-N-hydroxyacetamide
    Show/Hide
Structure
Formula
C23H21NO3
Molecular Weight
359.425
Canonical SMILES
CC(N(O)C(C)=O)c1ccc(Oc2ccc-3c(Cc4ccccc-34)c2)cc1
    Show/Hide
InChI
InChI=1S/C23H21NO3/c1-15(24(26)16(2)25)17-7-9-20(10-8-17)27-21-11-12-23-19(14-21)13-18-5-3-4-6-22(18)23/h3-12,14-15,26H,13H2,1-2H3
    Show/Hide
InChIKey
DLOVDSOVVJUWDH-UHFFFAOYSA-N
Physicochemical Property
logP
5.3488
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 44301945
ChEMBL ID
CHEMBL417392
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 = 4900 nM
   TI
   LI
   LO
   TS