General Information of the Compound
Compound ID
CP0548914
Compound Name
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
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Structure
Formula
C17H13NO2
Molecular Weight
263.296
Canonical SMILES
OCc1cc2ccc3c4ccccc4[nH]c3c2cc1O
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InChI
InChI=1S/C17H13NO2/c19-9-11-7-10-5-6-13-12-3-1-2-4-15(12)18-17(13)14(10)8-16(11)20/h1-8,18-20H,9H2
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InChIKey
HGNBRXZQFPKZEQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6722
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
56.25
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 44579437
ChEMBL ID
CHEMBL490410
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 > 30000 nM
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