General Information of the Compound
| Compound ID |
CP0393254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434725, 277
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N8O2
|
||||||||||||||||||
| Molecular Weight |
418.461
|
||||||||||||||||||
| Canonical SMILES |
OCC(O)c1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N8O2/c30-13-19(31)17-12-23-11-16(26-17)15-8-18-14(9-24-15)10-25-29(18)21-3-1-2-20(27-21)28-6-4-22-5-7-28/h1-3,8-12,19,22,30-31H,4-7,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFWAZGZFSFQQCU-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