General Information of the Compound
| Compound ID |
CP0958824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Sodium 1-Amino-4-(4-chloro-3-methylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14ClN2NaO5S
|
||||||||||||||||||
| Molecular Weight |
464.862
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)ccc1Cl.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15ClN2O5S.Na/c1-10-8-11(6-7-14(10)22)24-15-9-16(30(27,28)29)19(23)18-17(15)20(25)12-4-2-3-5-13(12)21(18)26;/h2-9,24H,23H2,1H3,(H,27,28,29);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTHVCJZXRZGZOV-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