General Information of the Compound
Compound ID
CP0430114
Compound Name
methyl 2-methyl-3-[(9-oxofluorene-1-carbonyl)amino]benzoate
    Show/Hide
Structure
Formula
C23H17NO4
Molecular Weight
371.392
Canonical SMILES
COC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1C
    Show/Hide
InChI
InChI=1S/C23H17NO4/c1-13-14(23(27)28-2)9-6-12-19(13)24-22(26)18-11-5-10-16-15-7-3-4-8-17(15)21(25)20(16)18/h3-12H,1-2H3,(H,24,26)
    Show/Hide
InChIKey
GXXHLISSKGUAKM-UHFFFAOYSA-N
Physicochemical Property
logP
4.24532
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
72.47
Hydrogen Bond Donor Count
1
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: 25234397
SID: 57586348
ChEMBL ID
CHEMBL2203677
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 = 12920 nM
   TI
   LI
   LO
   TS