General Information of the Compound
| Compound ID |
CP0434216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(cyclohexylmethyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32F6N2O
|
||||||||||||||||||
| Molecular Weight |
526.565
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(CC2CCCCC2)C[C@@H]1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32F6N2O/c1-35(15-20-12-22(27(29,30)31)14-23(13-20)28(32,33)34)26(37)25-18-36(16-19-8-4-2-5-9-19)17-24(25)21-10-6-3-7-11-21/h3,6-7,10-14,19,24-25H,2,4-5,8-9,15-18H2,1H3/t24-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMWDIPRGXUWYAE-RPBOFIJWSA-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