General Information of the Compound
Compound ID
CP0401352
Compound Name
2-hydroxy-9-m-tolyl-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
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Structure
Formula
C24H19NO3
Molecular Weight
369.42
Canonical SMILES
Cc1cccc(c1)-c1ccc2c3CCc4cc(C(O)=O)c(O)cc4-c3[nH]c2c1
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InChI
InChI=1S/C24H19NO3/c1-13-3-2-4-14(9-13)15-5-7-17-18-8-6-16-10-20(24(27)28)22(26)12-19(16)23(18)25-21(17)11-15/h2-5,7,9-12,25-26H,6,8H2,1H3,(H,27,28)
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InChIKey
IKPAWXAYJQPZQE-UHFFFAOYSA-N
Physicochemical Property
logP
5.31272
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
73.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 16048011
SID: 24434178
ChEMBL ID
CHEMBL521746
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 = 194 nM
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