General Information of the Compound
| Compound ID |
CP0961830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysene-1-carboxylic acid(2-piperidin-1-yl-ethyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O3S
|
||||||||||||||||||
| Molecular Weight |
436.537
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCN1CCCCC1)c1ccnc2c3c(ccc12)-c1ccccc1S(=O)(=O)N3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O3S/c28-23(25-12-15-27-13-4-1-5-14-27)19-10-11-24-21-18(19)9-8-17-16-6-2-3-7-20(16)31(29,30)26-22(17)21/h2-3,6-11,26H,1,4-5,12-15H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUQXZPSUTUJEMN-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