General Information of the Compound
Compound ID
CP0538186
Compound Name
6,8-Dichloro-9H-beta-carbolin-7-ol
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Formula
C11H6Cl2N2O
Molecular Weight
253.088
Canonical SMILES
Oc1c(Cl)cc2c3cc[nH]cc3nc2c1Cl
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InChI
InChI=1S/C11H6Cl2N2O/c12-7-3-6-5-1-2-14-4-8(5)15-10(6)9(13)11(7)16/h1-4,14,16H
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InChIKey
OALPZEVFJNZQPG-UHFFFAOYSA-N
Physicochemical Property
logP
3.6801
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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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ChEMBL ID
CHEMBL309953
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 = 11000 nM
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