General Information of the Compound
| Compound ID |
CP0958613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-3-(((cyclobutylmethyl)(methyl)amino)methyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33F6N3O2
|
||||||||||||||||||
| Molecular Weight |
569.59
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN(C)CC2CCC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33F6N3O2/c1-17-7-5-8-18(2)24(17)38-16-27(19(3)25(38)39,15-37(4)14-20-9-6-10-20)26(40)36-23-12-21(28(30,31)32)11-22(13-23)29(33,34)35/h5,7-8,11-13,19-20H,6,9-10,14-16H2,1-4H3,(H,36,40)/t19-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFHOBGBVUWVPTC-XHCCPWGMSA-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