General Information of the Compound
| Compound ID |
CP0223453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 169
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N6O2
|
||||||||||||||||||
| Molecular Weight |
404.474
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(n1)-c1ccccc1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc(C)cc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N6O2/c1-13-10-14(2)24-22(23-13)28-11-16-8-9-27(12-19(16)28)21(29)18-7-5-4-6-17(18)20-25-15(3)26-30-20/h4-7,10,16,19H,8-9,11-12H2,1-3H3/t16-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHLPBRRUNHDHLH-LPHOPBHVSA-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