General Information of the Compound
| Compound ID |
CP0440590
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3aS,5S,6aR)-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[5-[6-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33F3N4O4
|
||||||||||||||||||
| Molecular Weight |
510.557
|
||||||||||||||||||
| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CC2CC1CN2c1cccc(n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33F3N4O4/c1-34-19-14-35-7-5-18(19)29-15-9-21-24(11-15,6-8-36-21)23(33)32-13-16-10-17(32)12-31(16)22-4-2-3-20(30-22)25(26,27)28/h2-4,15-19,21,29H,5-14H2,1H3/t15-,16?,17?,18?,19?,21-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZBPABFROFIHBY-BDRYFTCPSA-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