General Information of the Compound
| Compound ID |
CP0428168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8906911, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37F6N3O3
|
||||||||||||||||||
| Molecular Weight |
589.621
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(ccc1C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37F6N3O3/c1-36(23-7-9-41-16-25(23)40-2)19-10-17-4-3-8-27(17,13-19)26(39)38-15-20-12-21(38)14-37(20)24-11-18(28(30,31)32)5-6-22(24)29(33,34)35/h5-6,11,17,19-21,23,25H,3-4,7-10,12-16H2,1-2H3/t17-,19-,20+,21+,23+,25-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABWDLWYDMCTIDD-BBVXKGOHSA-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