General Information of the Compound
| Compound ID |
CP0554222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,2-difluoroethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28F2N2
|
||||||||||||||||||
| Molecular Weight |
346.465
|
||||||||||||||||||
| Canonical SMILES |
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(F)F)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28F2N2/c1-2-16(8-15-6-4-3-5-7-15)18-9-19(18)24-17-10-21(11-17)13-25(14-21)12-20(22)23/h3-8,17-20,24H,2,9-14H2,1H3/b16-8+/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJNIRUHGOPLXSD-XLRIHDRJSA-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