General Information of the Compound
Compound ID
CP0653083
Compound Name
3-Hydroxy-4-(2-hydroxy-naphthalen-1-ylazo)-naphthalene-1-sulfonic acid
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Formula
C20H14N2O5S
Molecular Weight
394.408
Canonical SMILES
O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12
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InChI
InChI=1S/C20H14N2O5S/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)/b22-21+
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InChIKey
ZMLWOOMWRCRLCH-QURGRASLSA-N
Physicochemical Property
logP
5.0663
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
119.55
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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
SID: 14780949
ChEMBL ID
CHEMBL124855
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 = 200 nM
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