General Information of the Compound
| Compound ID |
CP0498100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35NO3
|
||||||||||||||||||
| Molecular Weight |
397.559
|
||||||||||||||||||
| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35NO3/c1-6-10-18(2)17-29-22-15-13-21(14-16-22)23(25(4,5)28)26-24(27)19(3)20-11-8-7-9-12-20/h7-9,11-16,18-19,23,28H,6,10,17H2,1-5H3,(H,26,27)/t18?,19-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTNWRNSQLZVGLW-HXCXSPQYSA-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