General Information of the Compound
| Compound ID |
CP0930585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131447882
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H33N3O2
|
||||||||||||||||||
| Molecular Weight |
371.525
|
||||||||||||||||||
| Canonical SMILES |
CCCNC(=O)N(C)C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H33N3O2/c1-3-13-23-22(27)25(2)14-19-21(20(15-26)24-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h7,9-12,19-21,24,26H,3-6,8,13-15H2,1-2H3,(H,23,27)/t19-,20+,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNZCAJZFONMYBT-QHAWAJNXSA-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