General Information of the Compound
| Compound ID |
CP0891494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID104170668
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44F4N4O7S
|
||||||||||||||||||
| Molecular Weight |
752.828
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44F4N4O7S/c1-23-20-44(24(2)22-45)34(46)31-19-29(42-35(47)41-28-12-8-26(9-13-28)36(38,39)40)14-17-32(31)51-25(3)7-5-6-18-50-33(23)21-43(4)52(48,49)30-15-10-27(37)11-16-30/h8-17,19,23-25,33,45H,5-7,18,20-22H2,1-4H3,(H2,41,42,47)/t23-,24-,25+,33+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QFGLVRXJBRXPKG-OEDABOJWSA-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