General Information of the Compound
| Compound ID |
CP0853993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Hydroxy-4-(2-hydroxy-4-sulfo-naphthalen-1-ylazo)-naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C21H14N2O7S
|
||||||||||||||||||
| Molecular Weight |
438.417
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1cc2ccccc2c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14N2O7S/c24-16-10-17(31(28,29)30)13-7-3-4-8-14(13)18(16)22-23-19-12-6-2-1-5-11(12)9-15(20(19)25)21(26)27/h1-10,24-25H,(H,26,27)(H,28,29,30)/b23-22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVQBFZXBLLMXGS-GHVJWSGMSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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