General Information of the Compound
| Compound ID |
CP0504092
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8633212, 20
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26F3N3O2
|
||||||||||||||||||
| Molecular Weight |
445.485
|
||||||||||||||||||
| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F3N3O2/c1-30-21(28)29-23(32-30)20-13-16(15-4-3-5-18(12-15)24(25,26)27)6-7-17(20)14-22(23)10-8-19(31-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKTFCNUADRUXNU-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