General Information of the Compound
Compound ID
CP0569438
Compound Name
3-amino-5-[(9-oxofluorene-1-carbonyl)amino]benzoic acid
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Structure
Formula
C21H14N2O4
Molecular Weight
358.353
Canonical SMILES
Nc1cc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)cc(c1)C(O)=O
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InChI
InChI=1S/C21H14N2O4/c22-12-8-11(21(26)27)9-13(10-12)23-20(25)17-7-3-6-15-14-4-1-2-5-16(14)19(24)18(15)17/h1-10H,22H2,(H,23,25)(H,26,27)
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InChIKey
BFGROZUJEUSVRX-UHFFFAOYSA-N
Physicochemical Property
logP
3.4307
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
109.49
Hydrogen Bond Donor Count
3
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: 57652702
ChEMBL ID
CHEMBL2203672
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 = 990 nM
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