General Information of the Compound
| Compound ID |
CP0957912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-3-(((R)-3-methylmorpholino)methyl)-5-oxopyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F6N3O3
|
||||||||||||||||||
| Molecular Weight |
571.562
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCOC[C@H]2C)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F6N3O3/c1-16-6-5-7-17(2)23(16)37-15-26(19(4)24(37)38,14-36-8-9-40-13-18(36)3)25(39)35-22-11-20(27(29,30)31)10-21(12-22)28(32,33)34/h5-7,10-12,18-19H,8-9,13-15H2,1-4H3,(H,35,39)/t18-,19-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHOAYVFGMQAQEN-LJKQEARRSA-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