General Information of the Compound
| Compound ID |
CP0856709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87539608
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43F3N4O7S2
|
||||||||||||||||||
| Molecular Weight |
740.867
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2cccs2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43F3N4O7S2/c1-22-19-41(23(2)21-42)32(43)28-18-27(39-33(44)38-26-12-10-25(11-13-26)34(35,36)37)14-15-29(28)48-24(3)8-5-6-16-47-30(22)20-40(4)50(45,46)31-9-7-17-49-31/h7,9-15,17-18,22-24,30,42H,5-6,8,16,19-21H2,1-4H3,(H2,38,39,44)/t22-,23-,24-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBAADSDIBGVMBK-KJMNMTOCSA-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