General Information of the Compound
Compound ID
CP0540875
Compound Name
4-methoxy-3-[(9-oxofluorene-1-carbonyl)amino]benzoic acid
    Show/Hide
Structure
Formula
C22H15NO5
Molecular Weight
373.364
Canonical SMILES
COc1ccc(cc1NC(=O)c1cccc2-c3ccccc3C(=O)c12)C(O)=O
    Show/Hide
InChI
InChI=1S/C22H15NO5/c1-28-18-10-9-12(22(26)27)11-17(18)23-21(25)16-8-4-7-14-13-5-2-3-6-15(13)20(24)19(14)16/h2-11H,1H3,(H,23,25)(H,26,27)
    Show/Hide
InChIKey
HBWWHZAXRQMJLN-UHFFFAOYSA-N
Physicochemical Property
logP
3.8571
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
92.7
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 25234406
SID: 57586359
ChEMBL ID
CHEMBL2203673
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: PT03954, Calmodulin-sensitive adenylate cyclase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 5810 nM
   TI
   LI
   LO
   TS