General Information of the Compound
| Compound ID |
CP0012867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9745291, Compound 138
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O3
|
||||||||||||||||||
| Molecular Weight |
420.513
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccnc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O3/c1-27-13-11-25-24(27)21-8-4-5-9-22(21)31-17-23(30)26-14-20(29)16-28-12-10-18-6-2-3-7-19(18)15-28/h2-9,11,13,20,29H,10,12,14-17H2,1H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRUSRUIYLHEVPD-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