General Information of the Compound
| Compound ID |
CP0849080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Sodium1-Amino-4-(3-benzylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H19N2NaO5S
|
||||||||||||||||||
| Molecular Weight |
506.515
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(Cc3ccccc3)c2)c2c1C(=O)c1ccccc1C2=O.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20N2O5S.Na/c28-25-22(35(32,33)34)15-21(23-24(25)27(31)20-12-5-4-11-19(20)26(23)30)29-18-10-6-9-17(14-18)13-16-7-2-1-3-8-16;/h1-12,14-15,29H,13,28H2,(H,32,33,34);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPEBHFBKRCKQPE-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
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6