General Information of the Compound
| Compound ID |
CP0528083
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-5-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbonyl)-1-methylpyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F7N2O3
|
||||||||||||||||||
| Molecular Weight |
546.483
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)N1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F7N2O3/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)38-22-13-35(24(37)21-7-8-23(36)34(21)2)12-20(22)15-3-5-19(27)6-4-15/h3-6,9-11,14,20-22H,7-8,12-13H2,1-2H3/t14-,20+,21+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAPJPHDEEIUMOL-WBBCYVCWSA-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