General Information of the Compound
| Compound ID |
CP0861222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11-Methoxy-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N2O3S
|
||||||||||||||||||
| Molecular Weight |
312.35
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2cccnc2c2c1-c1ccccc1S(=O)(=O)N2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N2O3S/c1-21-12-9-10-5-4-8-17-15(10)16-14(12)11-6-2-3-7-13(11)22(19,20)18-16/h2-9,18H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXWHNUNOOKAISL-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