General Information of the Compound
Compound ID
CP0504020
Compound Name
6-Fluoro-9H-beta-carboline
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Structure
Formula
C11H7FN2
Molecular Weight
186.189
Canonical SMILES
Fc1ccc2[nH]c3cnccc3c2c1
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InChI
InChI=1S/C11H7FN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H
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InChIKey
AHWZJZOSPUCFPC-UHFFFAOYSA-N
Physicochemical Property
logP
2.8552
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 13441298
ChEMBL ID
CHEMBL81170
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: PT01239, Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 2000 nM
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