General Information of the Compound
Compound ID
CP0539727
Compound Name
2-hydroxy-3-[(9-oxofluorene-1-carbonyl)amino]benzoic acid
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Structure
Formula
C21H13NO5
Molecular Weight
359.337
Canonical SMILES
OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1O
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InChI
InChI=1S/C21H13NO5/c23-18-15(21(26)27)9-4-10-16(18)22-20(25)14-8-3-7-12-11-5-1-2-6-13(11)19(24)17(12)14/h1-10,23H,(H,22,25)(H,26,27)
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InChIKey
UQPKMXMWFSHRDB-UHFFFAOYSA-N
Physicochemical Property
logP
3.5541
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
103.7
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: 56838292
SID: 134967850
ChEMBL ID
CHEMBL2203670
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 = 5640 nM
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