General Information of the Compound
| Compound ID |
CP0251583
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9073893, 65
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N4O2
|
||||||||||||||||||
| Molecular Weight |
368.481
|
||||||||||||||||||
| Canonical SMILES |
Cn1n(C2CCN(CC3CCC=CC3)CC2)c(=O)c2c(cccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h2-3,5,8-9,15-16H,4,6-7,10-14H2,1H3,(H2,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBDYFIHZQFQZCK-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