General Information of the Compound
| Compound ID |
CP0455986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-dimethyl-4-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N2O2
|
||||||||||||||||||
| Molecular Weight |
374.484
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(C)c1-c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N2O2/c1-16-23(17(2)28-25-16)18-9-11-20(12-10-18)27-24-21-8-4-3-7-19(21)15-22(24)26-13-5-6-14-26/h3-4,7-12,22,24H,5-6,13-15H2,1-2H3/t22-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIDHNMJVHAGIJI-UPVQGACJSA-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