General Information of the Compound
| Compound ID |
CP0886262
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85802394
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37F3N4O7S
|
||||||||||||||||||
| Molecular Weight |
678.73
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@@H]2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37F3N4O7S/c1-20-17-39(21(2)19-40)30(41)16-22-15-25(37-31(42)36-24-7-5-23(6-8-24)32(33,34)35)9-14-28(22)46-29(20)18-38(3)47(43,44)27-12-10-26(45-4)11-13-27/h5-15,20-21,29,40H,16-19H2,1-4H3,(H2,36,37,42)/t20-,21+,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIWMNFKLTIXQRS-BNJCFXFUSA-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