General Information of the Compound
| Compound ID |
CP0555969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.297
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34N4O3
|
||||||||||||||||||
| Molecular Weight |
438.572
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)c2cncc(C)c2)cc1CN1CCC(CC1)C(=O)NC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N4O3/c1-17-12-19(15-26-14-17)23(30)27-21-6-7-22(32-5)20(13-21)16-29-10-8-18(9-11-29)24(31)28-25(2,3)4/h6-7,12-15,18H,8-11,16H2,1-5H3,(H,27,30)(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSAJZYRORJERRF-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