General Information of the Compound
| Compound ID |
CP0452628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)isobutyramide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H39N5O
|
||||||||||||||||||
| Molecular Weight |
425.621
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N[C@@H](CC(C)N1CCC(CC1)n1c(C)nnc1C(C)C)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H39N5O/c1-17(2)24-28-27-20(6)30(24)22-12-14-29(15-13-22)19(5)16-23(26-25(31)18(3)4)21-10-8-7-9-11-21/h7-11,17-19,22-23H,12-16H2,1-6H3,(H,26,31)/t19?,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBDSIYPGNYKTOA-BVHINDKJSA-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