General Information of the Compound
| Compound ID |
CP0485092
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(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]amino]-1,1-dioxothian-4-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C27H27F8NO5S2
|
||||||||||||||||||
| Molecular Weight |
661.633
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCS(=O)(=O)CC1)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/C27H27F8NO5S2/c28-18-3-5-19(6-4-18)43(40,41)24-10-9-22(36-23(37)11-13-42(38,39)14-12-23)21(24)7-1-16-15-17(2-8-20(16)24)25(29,26(30,31)32)27(33,34)35/h2-6,8,15,21-22,36-37H,1,7,9-14H2/t21-,22+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTOPUMYXPVWTOE-WMTXJRDZSA-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