General Information of the Compound
| Compound ID |
CP0516401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-5-yl(4-phenylhexahydro-1-pyridinyl)methane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N2O
|
||||||||||||||||||
| Molecular Weight |
430.636
|
||||||||||||||||||
| Canonical SMILES |
C([C@H]1CN2OC3(C[C@H]2[C@@H]1c1ccccc1)CCCCC3)N1CCC(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N2O/c1-4-10-23(11-5-1)24-14-18-30(19-15-24)21-26-22-31-27(28(26)25-12-6-2-7-13-25)20-29(32-31)16-8-3-9-17-29/h1-2,4-7,10-13,24,26-28H,3,8-9,14-22H2/t26-,27-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGVXVASTOBIZMI-HZFUHODCSA-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