General Information of the Compound
| Compound ID |
CP0515544
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993586, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N6O2
|
||||||||||||||||||
| Molecular Weight |
392.463
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4=NCC=c4c3)NC(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N6O2/c1-13(2)27-17-16(12-24-27)10-21(25-19(17)28)4-7-26(8-5-21)20(29)15-9-14-3-6-22-18(14)23-11-15/h3,9,11-13H,4-8,10H2,1-2H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRPFGHAVLZQCAP-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