General Information of the Compound
| Compound ID |
CP0519625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 16-2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30F6N2O4
|
||||||||||||||||||
| Molecular Weight |
608.579
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)C2C(C[C@@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15,25-26H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)/t25?,26?,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYUDOVKKAKHOOY-YITPRAEKSA-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