General Information of the Compound
| Compound ID |
CP0441387
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O2
|
||||||||||||||||||
| Molecular Weight |
393.531
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O2/c25-22(17-19-7-2-1-3-8-19)23(28)26-13-6-14-27-15-11-24(12-16-27)21-10-5-4-9-20(21)18-29-24/h1-5,7-10,22H,6,11-18,25H2,(H,26,28)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFPQCZLWUPCRME-QFIPXVFZSA-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