General Information of the Compound
| Compound ID |
CP0561977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 701
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27F3N4O3S2
|
||||||||||||||||||
| Molecular Weight |
600.688
|
||||||||||||||||||
| Canonical SMILES |
CN(C)Cc1nccn1-c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27F3N4O3S2/c1-20-25-6-4-5-7-26(25)40-28(20)36(18-21-8-12-23(13-9-21)39-29(30,31)32)41(37,38)24-14-10-22(11-15-24)35-17-16-33-27(35)19-34(2)3/h4-17H,18-19H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSEFDBXYVJCNBJ-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