General Information of the Compound
| Compound ID |
CP0388632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-3,3,3-trifluoro-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34F3N5O
|
||||||||||||||||||
| Molecular Weight |
465.564
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)CC(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34F3N5O/c1-16(2)23-30-29-18(4)32(23)20-10-12-31(13-11-20)17(3)14-21(19-8-6-5-7-9-19)28-22(33)15-24(25,26)27/h5-9,16-17,20-21H,10-15H2,1-4H3,(H,28,33)/t17?,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOOALDFZEUJNSR-LFABVHOISA-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