General Information of the Compound
| Compound ID |
CP0529226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-3-(dibutylamino)-5,8-dihydroxynaphthalene-1,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22ClNO4
|
||||||||||||||||||
| Molecular Weight |
351.83
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CCCC)C1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22ClNO4/c1-3-5-9-20(10-6-4-2)16-15(19)17(23)13-11(21)7-8-12(22)14(13)18(16)24/h7-8,21-22H,3-6,9-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BATFFDZIDLLNAL-UHFFFAOYSA-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