General Information of the Compound
| Compound ID |
CP0462611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 177
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20F3N3O
|
||||||||||||||||||
| Molecular Weight |
351.372
|
||||||||||||||||||
| Canonical SMILES |
OC1(CNCc2ccnc(n2)-c2ccc(cc2)C(F)(F)F)CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N3O/c19-18(20,21)14-5-3-13(4-6-14)16-23-10-7-15(24-16)11-22-12-17(25)8-1-2-9-17/h3-7,10,22,25H,1-2,8-9,11-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVNBOTUJQIFILA-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