General Information of the Compound
| Compound ID |
CP0967681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-3-(pyrrolidin-1-ylmethyl)pyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29F6N3O2
|
||||||||||||||||||
| Molecular Weight |
541.536
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCCC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29F6N3O2/c1-16-7-6-8-17(2)22(16)36-15-25(18(3)23(36)37,14-35-9-4-5-10-35)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h6-8,11-13,18H,4-5,9-10,14-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAVOUGOKPOSQTR-IQGLISFBSA-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