General Information of the Compound
| Compound ID |
CP0216972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl (4S)-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N3O5
|
||||||||||||||||||
| Molecular Weight |
509.647
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N3O5/c1-2-36-27(33)14-13-26(31-29(35)37-22-25-11-7-4-8-12-25)28(34)30-18-15-23-16-19-32(20-17-23)21-24-9-5-3-6-10-24/h3-12,23,26H,2,13-22H2,1H3,(H,30,34)(H,31,35)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXMSSTXNRQZQDT-SANMLTNESA-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