General Information of the Compound
| Compound ID |
CP0513410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9126941, RD48
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20F3N3OS
|
||||||||||||||||||
| Molecular Weight |
443.494
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F3N3OS/c1-15-6-8-16(9-7-15)29-21(31)28(20(30)22(29)12-4-3-5-13-22)17-10-11-19(27-2)18(14-17)23(24,25)26/h6-11,14H,3-5,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTVVSULVDQMPBV-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