General Information of the Compound
| Compound ID |
CP0559289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 778
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F3N3O3S2
|
||||||||||||||||||
| Molecular Weight |
509.575
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)CCCn1ccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F3N3O3S2/c1-17-20-8-2-3-9-21(20)33-22(17)29(34(30,31)13-5-11-28-12-10-27-16-28)15-18-6-4-7-19(14-18)32-23(24,25)26/h2-4,6-10,12,14,16H,5,11,13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQICZLMCQIIVAP-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