General Information of the Compound
| Compound ID |
CP0456229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2418371
Show/Hide
|
||||||||||||||||||
| Formula |
C22H33N3O
|
||||||||||||||||||
| Molecular Weight |
355.526
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]2CN(C[C@H]2C1)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H33N3O/c1-22(2,3)19-9-7-16(8-10-19)21(26)25-14-17-12-24(13-18(17)15-25)20-6-4-5-11-23-20/h4-6,11,16-19H,7-10,12-15H2,1-3H3/t16-,17-,18+,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRRDVINKWLHQMS-ZKQFHSMGSA-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 | |||||||||||||||||||
| 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