General Information of the Compound
| Compound ID |
CP0496304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[1-(3-methyl-butyl)-piperidine-4-carbonyl]-amino}-ethyl)-phenyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42N2O5
|
||||||||||||||||||
| Molecular Weight |
522.686
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCN1CCC(CC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42N2O5/c1-22(2)15-18-33-19-16-24(17-20-33)28(34)32-27(30(36)38-31(3,4)5)21-23-11-13-26(14-12-23)37-29(35)25-9-7-6-8-10-25/h6-14,22,24,27H,15-21H2,1-5H3,(H,32,34)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLCOIJTYKCIUGG-MHZLTWQESA-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