General Information of the Compound
| Compound ID |
CP0565154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11078186, Example 126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29F7N2O4S
|
||||||||||||||||||
| Molecular Weight |
610.592
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29F7N2O4S/c1-24(19-7-9-21(28)10-8-19)16-35(23(37)18-11-13-36(14-12-18)41(2,39)40)15-22(24)17-3-5-20(6-4-17)25(38,26(29,30)31)27(32,33)34/h3-10,18,22,38H,11-16H2,1-2H3/t22-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALFCHQITUJBNBS-LADGPHEKSA-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