General Information of the Compound
| Compound ID |
CP0518955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 163
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F3N3O
|
||||||||||||||||||
| Molecular Weight |
387.405
|
||||||||||||||||||
| Canonical SMILES |
OCC[C@H](NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F3N3O/c22-21(23,24)17-8-6-16(7-9-17)20-25-12-10-18(27-20)14-26-19(11-13-28)15-4-2-1-3-5-15/h1-10,12,19,26,28H,11,13-14H2/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNQJWSWTPGQIFE-IBGZPJMESA-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