General Information of the Compound
| Compound ID |
CP0483002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163012, 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24ClN3O2
|
||||||||||||||||||
| Molecular Weight |
361.873
|
||||||||||||||||||
| Canonical SMILES |
Clc1cnc(nc1)C1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24ClN3O2/c20-16-8-21-18(22-9-16)13-1-2-23(10-13)19(24)25-17-14-4-11-3-12(6-14)7-15(17)5-11/h8-9,11-15,17H,1-7,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPXNGLKBUZVNEE-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