General Information of the Compound
Compound ID
CP0372844
Compound Name
2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
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Structure
Formula
C17H11NO3
Molecular Weight
277.279
Canonical SMILES
OC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
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InChI
InChI=1S/C17H11NO3/c19-15-8-12-9(7-13(15)17(20)21)5-6-11-10-3-1-2-4-14(10)18-16(11)12/h1-8,18-19H,(H,20,21)
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InChIKey
ONMDNQFBIVCMAS-UHFFFAOYSA-N
CAS
84-43-5
Physicochemical Property
logP
3.8781
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
73.32
Hydrogen Bond Donor Count
3
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: 66531
ChEMBL ID
CHEMBL490409
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: PT06051, Thrombopoietin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
EC50 = 3400 nM
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