General Information of the Compound
| Compound ID |
CP0466645
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9126941, RD110
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16F3N3O2S
|
||||||||||||||||||
| Molecular Weight |
431.439
|
||||||||||||||||||
| Canonical SMILES |
OCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16F3N3O2S/c1-25-17-8-7-15(11-16(17)21(22,23)24)26-18(29)20(9-2-10-20)27(19(26)30)14-5-3-13(12-28)4-6-14/h3-8,11,28H,2,9-10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDVOZHHCHLTRMJ-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