General Information of the Compound
Compound ID
CP0441067
Compound Name
methyl 3-[(9-oxofluorene-1-carbonyl)amino]benzoate
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Structure
Formula
C22H15NO4
Molecular Weight
357.365
Canonical SMILES
COC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
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InChI
InChI=1S/C22H15NO4/c1-27-22(26)13-6-4-7-14(12-13)23-21(25)18-11-5-10-16-15-8-2-3-9-17(15)20(24)19(16)18/h2-12H,1H3,(H,23,25)
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InChIKey
DNLKEYDSXUTYLC-UHFFFAOYSA-N
Physicochemical Property
logP
3.9369
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
72.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 57652688
ChEMBL ID
CHEMBL2203667
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 = 11000 nM
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