General Information of the Compound
| Compound ID |
CP0458012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(2-naphthoyl)-N-(1-benzylpiperidin-4-yl)pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N3O2
|
||||||||||||||||||
| Molecular Weight |
441.575
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O2/c32-27(29-25-14-17-30(18-15-25)20-21-7-2-1-3-8-21)26-11-6-16-31(26)28(33)24-13-12-22-9-4-5-10-23(22)19-24/h1-5,7-10,12-13,19,25-26H,6,11,14-18,20H2,(H,29,32)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTHYCJFUJNWGCB-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