General Information of the Compound
| Compound ID |
CP0450187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 69
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26F3N3O3
|
||||||||||||||||||
| Molecular Weight |
473.495
|
||||||||||||||||||
| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2cccc3n(C)c(=O)ccc23)c2ccc(cc2O1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26F3N3O3/c1-4-24(5-2)14-19(17-10-9-15(25(26,27)28)13-21(17)34-24)30-23(33)29-18-7-6-8-20-16(18)11-12-22(32)31(20)3/h6-13,19H,4-5,14H2,1-3H3,(H2,29,30,33)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FOMOXXOEBGCMGD-LJQANCHMSA-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