General Information of the Compound
| Compound ID |
CP0497247
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10435369, Example 41
Show/Hide
|
||||||||||||||||||
| Formula |
C27H25F8NO4S
|
||||||||||||||||||
| Molecular Weight |
611.551
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1C[C@H](C1)NC(=O)[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/C27H25F8NO4S/c28-16-3-5-19(6-4-16)41(39,40)24-10-9-20(23(38)36-17-12-18(37)13-17)22(24)7-1-14-11-15(2-8-21(14)24)25(29,26(30,31)32)27(33,34)35/h2-6,8,11,17-18,20,22,37H,1,7,9-10,12-13H2,(H,36,38)/t17-,18+,20-,22+,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
APKINWNCLIYOJN-QEYZDPKDSA-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