General Information of the Compound
| Compound ID |
CP0457881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1R,2R)-2-(1,3-benzoxazol-2-ylsulfanylmethyl)cyclohexyl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N2O2S
|
||||||||||||||||||
| Molecular Weight |
478.702
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CC[C@H]1CCCC[C@H]1CSc1nc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N2O2S/c1-19(2)23-12-9-13-24(20(3)4)28(23)31-27(32)17-16-21-10-5-6-11-22(21)18-34-29-30-25-14-7-8-15-26(25)33-29/h7-9,12-15,19-22H,5-6,10-11,16-18H2,1-4H3,(H,31,32)/t21-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPUFHBBWUOOVJQ-YADHBBJMSA-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