General Information of the Compound
| Compound ID |
CP0941654
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID81065978
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28F4N2O4
|
||||||||||||||||||
| Molecular Weight |
568.567
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28F4N2O4/c1-40-29(38)28-25(24-13-11-22(32)15-27(24)41-18-20-5-3-2-4-6-20)16-23-12-14-26(28)37(23)30(39)36-17-19-7-9-21(10-8-19)31(33,34)35/h2-11,13,15,23,26H,12,14,16-18H2,1H3,(H,36,39)/t23-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFNSTTZHBRJUAC-JYFHCDHNSA-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