General Information of the Compound
| Compound ID |
CP0503178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-((S)-9-Benzhydryl-8-aza-tricyclo[5.3.1.0*3,8*]undec-10-yl)-(2-trifluoromethyl-benzyl)-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33F3N2
|
||||||||||||||||||
| Molecular Weight |
490.613
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1CNC1C2CC3CCCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33F3N2/c32-31(33,34)27-17-8-7-14-23(27)20-35-29-24-18-25-15-9-16-26(19-24)36(25)30(29)28(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-14,17,24-26,28-30,35H,9,15-16,18-20H2/t24?,25?,26?,29?,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYKBLLUYVJYTFI-ICQJPXRGSA-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