General Information of the Compound
| Compound ID |
CP0489884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]propyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H36N2O3
|
||||||||||||||||||
| Molecular Weight |
400.563
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(CCCCC3=O)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36N2O3/c1-24(2,3)29-23(28)26-15-12-18(13-16-26)7-6-14-25-20-10-11-21-19(17-20)8-4-5-9-22(21)27/h10-11,17-18,25H,4-9,12-16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDZPPKAVVXOLGD-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