General Information of the Compound
| Compound ID |
CP0561219
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 354
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F3N3O2S2
|
||||||||||||||||||
| Molecular Weight |
505.587
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCC(F)(F)F)S(=O)(=O)c1cccc(c1)-c1ccnc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N3O2S2/c1-16-20-9-3-4-10-22(20)33-23(16)30(14-6-12-24(25,26)27)34(31,32)19-8-5-7-18(15-19)21-11-13-28-17(2)29-21/h3-5,7-11,13,15H,6,12,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYZRFFJJLHRCHF-UHFFFAOYSA-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