General Information of the Compound
Compound ID
CP0401353
Compound Name
methyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
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Structure
Formula
C18H13NO3
Molecular Weight
291.306
Canonical SMILES
COC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
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InChI
InChI=1S/C18H13NO3/c1-22-18(21)14-8-10-6-7-12-11-4-2-3-5-15(11)19-17(12)13(10)9-16(14)20/h2-9,19-20H,1H3
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InChIKey
XZZXEOXDAIQXTP-UHFFFAOYSA-N
Physicochemical Property
logP
3.9665
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
62.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 19089431
ChEMBL ID
CHEMBL490412
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 = 1300 nM
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