General Information of the Compound
| Compound ID |
CP0414511
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409915, 73
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClF3N4O
|
||||||||||||||||||
| Molecular Weight |
420.822
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(on1)-c1nc2cc(nc(Cl)c2[nH]1)-c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClF3N4O/c1-19(2,3)15-9-14(29-28-15)18-26-13-8-12(25-17(21)16(13)27-18)10-6-4-5-7-11(10)20(22,23)24/h4-9H,1-3H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVPKHMAIMPKPBA-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