General Information of the Compound
Compound ID
CP0254853
Compound Name
(NMHE)9-Hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium
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Structure
Formula
C18H17N2O+
Molecular Weight
277.347
Canonical SMILES
Cc1c2[nH+]c3ccc(O)cc3c2c(C)c2cn(C)ccc12
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InChI
InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1
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InChIKey
YZQRAQOSAPWELU-UHFFFAOYSA-O
Physicochemical Property
logP
3.62124
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
39.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 42723
ChEMBL ID
CHEMBL16699
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: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000755 Ba/F3 c-Kit D816V Mus musculus (Mouse)  1
1
IC50 = 10 nM
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