General Information of the Compound
| Compound ID |
CP0556029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993586, 97
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N7O2
|
||||||||||||||||||
| Molecular Weight |
407.478
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nnc4c3)NC(=O)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N7O2/c1-20(2,3)28-12-14-11-21(22-18(29)17(14)25-28)6-8-27(9-7-21)19(30)13-4-5-15-16(10-13)24-26-23-15/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,29)(H,23,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVFPJXHFAKXWMZ-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