General Information of the Compound
Compound ID
CP0528226
Compound Name
9-(4-fluoro-3-methylphenyl)-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
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Structure
Formula
C24H18FNO3
Molecular Weight
387.41
Canonical SMILES
Cc1cc(ccc1F)-c1ccc2c3CCc4cc(C(O)=O)c(O)cc4-c3[nH]c2c1
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InChI
InChI=1S/C24H18FNO3/c1-12-8-13(4-7-20(12)25)14-2-5-16-17-6-3-15-9-19(24(28)29)22(27)11-18(15)23(17)26-21(16)10-14/h2,4-5,7-11,26-27H,3,6H2,1H3,(H,28,29)
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InChIKey
ARVZEAPYEMTUPV-UHFFFAOYSA-N
Physicochemical Property
logP
5.45182
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
73.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 16048126
SID: 24434295
ChEMBL ID
CHEMBL477381
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 = 35 nM
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