General Information of the Compound
| Compound ID |
CP0968373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Sodium 1-Amino-4-(2-carboxy-4-hydroxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H13N2NaO8S
|
||||||||||||||||||
| Molecular Weight |
476.398
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(O)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14N2O8S.Na/c22-18-15(32(29,30)31)8-14(23-13-6-5-9(24)7-12(13)21(27)28)16-17(18)20(26)11-4-2-1-3-10(11)19(16)25;/h1-8,23-24H,22H2,(H,27,28)(H,29,30,31);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KROZKNXHTBFRNQ-UHFFFAOYSA-M
|
||||||||||||||||||
| 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