General Information of the Compound
| Compound ID |
CP0568597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4S)-N-[(3R,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-3-yl]-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H26F8N2O5S
|
||||||||||||||||||
| Molecular Weight |
657.5943053
|
||||||||||||||||||
| Canonical SMILES |
[2H]C([2H])([2H])N1[C@H](C[C@H](O)C1=O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26F8N2O5S/c1-38-21(13-22(39)24(38)41)23(40)37-20-10-11-25(44(42,43)17-6-4-16(29)5-7-17)18-9-3-15(12-14(18)2-8-19(20)25)26(30,27(31,32)33)28(34,35)36/h3-7,9,12,19-22,39H,2,8,10-11,13H2,1H3,(H,37,40)/t19-,20+,21+,22-,25+/m0/s1/i1D3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVMAZBCPOZHTEH-IQOZXTCSSA-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 | |||||||||||||||||||
| 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