General Information of the Compound
| Compound ID |
CP0452312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829640
Show/Hide
|
||||||||||||||||||
| Formula |
C26H30F3N3O3
|
||||||||||||||||||
| Molecular Weight |
489.538
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F3N3O3/c27-26(28,29)20-8-4-5-18(13-20)24(35)30-14-23(34)31-21-15-32(16-21)22-9-11-25(17-33,12-10-22)19-6-2-1-3-7-19/h1-8,13,21-22,33H,9-12,14-17H2,(H,30,35)(H,31,34)/t22-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMJJBIQFUDVPQN-RZFKFIIISA-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 | |||||||||||||||||||
| 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