General Information of the Compound
| Compound ID |
CP0523009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)butyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H36N2O4S
|
||||||||||||||||||
| Molecular Weight |
436.618
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCCN2CCc3cc(ccc23)S(C)(=O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H36N2O4S/c1-23(2,3)29-22(26)25-14-10-18(11-15-25)7-5-6-13-24-16-12-19-17-20(30(4,27)28)8-9-21(19)24/h8-9,17-18H,5-7,10-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACCUYEGVSRMAAF-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