General Information of the Compound
| Compound ID |
CP0961829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-yl)-(2-morpholin-4-yl-ethyl)-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
444.944
|
||||||||||||||||||
| Canonical SMILES |
O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(NCCN3CCOCC3)ccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClN4O3S/c22-18-13-17-16-12-14(23-6-7-26-8-10-29-11-9-26)3-4-19(16)30(27,28)25-21(17)20-15(18)2-1-5-24-20/h1-5,12-13,23,25H,6-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFFOXXRGWWIUIJ-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