General Information of the Compound
| Compound ID |
CP0515140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9365558, 55
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F7N4O5S
|
||||||||||||||||||
| Molecular Weight |
668.632
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)Cn1ccc(n1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F7N4O5S/c1-25(2,3)15-39-11-9-21(37-39)18-14-26(28(33,34)35,36-23(40)22(18)24(41)38-45(42,43)17-6-7-17)19-8-5-16(13-20(19)29)44-12-4-10-27(30,31)32/h5,8-9,11,13,17H,4,6-7,10,12,14-15H2,1-3H3,(H,36,40)(H,38,41)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYWKFJTUYPCMJS-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