General Information of the Compound
Compound ID
CP0556874
Compound Name
methyl 2-hydroxy-5-[(9-oxofluorene-1-carbonyl)amino]benzoate
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Structure
Formula
C22H15NO5
Molecular Weight
373.364
Canonical SMILES
COC(=O)c1cc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)ccc1O
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InChI
InChI=1S/C22H15NO5/c1-28-22(27)17-11-12(9-10-18(17)24)23-21(26)16-8-4-7-14-13-5-2-3-6-15(13)20(25)19(14)16/h2-11,24H,1H3,(H,23,26)
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InChIKey
DAVWLHPOIFVVRB-UHFFFAOYSA-N
Physicochemical Property
logP
3.6425
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
92.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 25234408
SID: 57586361
ChEMBL ID
CHEMBL2203676
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 > 100000 nM
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   LI
   LO
   TS