General Information of the Compound
Compound ID
CP0493733
Compound Name
8-Fluoro-1-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-de]acridine-2-carboxylic acid thiazol-2-ylamide
    Show/Hide
Structure
Formula
C19H12FN3O2S
Molecular Weight
365.389
Canonical SMILES
Fc1ccc2N3C(=O)C(C(=O)Nc4nccs4)c4cccc(Cc2c1)c34
    Show/Hide
InChI
InChI=1S/C19H12FN3O2S/c20-12-4-5-14-11(9-12)8-10-2-1-3-13-15(18(25)23(14)16(10)13)17(24)22-19-21-6-7-26-19/h1-7,9,15H,8H2,(H,21,22,24)
    Show/Hide
InChIKey
SVCMBZWRYURYMW-UHFFFAOYSA-N
Physicochemical Property
logP
3.587
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
62.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 14460023
ChEMBL ID
CHEMBL64858
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 = 700 nM
   TI
   LI
   LO
   TS