General Information of the Compound
| Compound ID |
CP0454313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(dimethylamino)-N-[(1S)-1-[3-fluoro-2-[4-[(3S,4R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]phenyl]-2-methylpropyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H46F5N5O2
|
||||||||||||||||||
| Molecular Weight |
651.765
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(c(F)c1)C(F)(F)F)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H46F5N5O2/c1-21(2)31(40-30(45)12-13-41(5)6)24-8-7-9-28(35)32(24)42-14-16-43(17-15-42)33(46)26-20-44(22(3)4)19-25(26)23-10-11-27(29(36)18-23)34(37,38)39/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,40,45)/t25-,26+,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVBCGMUEKUKCNZ-HEHLMWRFSA-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