General Information of the Compound
Compound ID
CP0504187
Compound Name
2-(2-hydroxy-9-methyl-11H-benzo[a]carbazol-3-yl)acetic acid
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Structure
Formula
C19H15NO3
Molecular Weight
305.333
Canonical SMILES
Cc1ccc2c(c1)[nH]c1c2ccc2cc(CC(O)=O)c(O)cc12
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InChI
InChI=1S/C19H15NO3/c1-10-2-4-13-14-5-3-11-7-12(8-18(22)23)17(21)9-15(11)19(14)20-16(13)6-10/h2-7,9,20-21H,8H2,1H3,(H,22,23)
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InChIKey
RIVUNEBMYQCJSY-UHFFFAOYSA-N
Physicochemical Property
logP
4.11542
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
73.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44579481
ChEMBL ID
CHEMBL522978
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 = 9200 nM
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