General Information of the Compound
| Compound ID |
CP0536942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9315518, 8-9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N4O3
|
||||||||||||||||||
| Molecular Weight |
384.48
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N4O3/c1-21(2,3)12-25-17-6-5-16(22-19(17)23(4)20(25)28)13-7-14-9-24(18(27)11-26)10-15(14)8-13/h5-7,14-15,26H,8-12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZOSBJPFKBYPJU-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