General Information of the Compound
| Compound ID |
CP0957414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-9-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H9N3O2S
|
||||||||||||||||||
| Molecular Weight |
307.334
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H9N3O2S/c17-9-10-3-6-14-13(8-10)12-5-4-11-2-1-7-18-15(11)16(12)19-22(14,20)21/h1-8,19H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQRJBPROJGOORQ-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