General Information of the Compound
| Compound ID |
CP0512572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9365558, 32
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F6N3O5S
|
||||||||||||||||||
| Molecular Weight |
635.627
|
||||||||||||||||||
| Canonical SMILES |
CN(C)S(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F6N3O5S/c1-18-7-9-19(10-8-18)22-17-26(28(32,33)34,35-24(38)23(22)25(39)36-43(40,41)37(2)3)20-11-13-21(14-12-20)42-16-6-4-5-15-27(29,30)31/h7-14H,4-6,15-17H2,1-3H3,(H,35,38)(H,36,39)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WASIBGCXIJSUOL-SANMLTNESA-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