General Information of the Compound
| Compound ID |
CP0529239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 106
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F3N3O4
|
||||||||||||||||||
| Molecular Weight |
435.402
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(cc2O1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F3N3O4/c1-20(2)9-15(13-5-3-11(21(22,23)24)7-17(13)31-20)27-19(29)25-12-4-6-16-14(8-12)26-18(28)10-30-16/h3-8,15H,9-10H2,1-2H3,(H,26,28)(H2,25,27,29)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZCBWCPNDAWVDT-OAHLLOKOSA-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