General Information of the Compound
| Compound ID |
CP0885815
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Sodium 1-Amino-4-[4-(4-chlorophenoxy)phenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H16ClN2NaO6S
|
||||||||||||||||||
| Molecular Weight |
542.932
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H17ClN2O6S.Na/c27-14-5-9-16(10-6-14)35-17-11-7-15(8-12-17)29-20-13-21(36(32,33)34)24(28)23-22(20)25(30)18-3-1-2-4-19(18)26(23)31;/h1-13,29H,28H2,(H,32,33,34);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQJXRIPPYAKBKI-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