General Information of the Compound
| Compound ID |
CP0879939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85806166
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35F3N4O7S
|
||||||||||||||||||
| Molecular Weight |
664.703
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35F3N4O7S/c1-19-16-38(20(2)18-39)29(40)25-6-5-7-26(36-30(41)35-22-10-8-21(9-11-22)31(32,33)34)28(25)45-27(19)17-37(3)46(42,43)24-14-12-23(44-4)13-15-24/h5-15,19-20,27,39H,16-18H2,1-4H3,(H2,35,36,41)/t19-,20+,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGFMXYCUCHIROH-IOKPGSKQSA-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