General Information of the Compound
Compound ID
CP0495897
Compound Name
3-[(9-oxo-9Hfluorene-1-carbonyl)-amino]-benzoic acid
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Structure
Formula
C21H13NO4
Molecular Weight
343.338
Canonical SMILES
OC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
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InChI
InChI=1S/C21H13NO4/c23-19-16-8-2-1-7-14(16)15-9-4-10-17(18(15)19)20(24)22-13-6-3-5-12(11-13)21(25)26/h1-11H,(H,22,24)(H,25,26)
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InChIKey
ASDYJRQOOWNXSU-UHFFFAOYSA-N
Physicochemical Property
logP
3.8485
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
83.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 698187
SID: 56479763
ChEMBL ID
CHEMBL444116
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 = 1640 nM
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