General Information of the Compound
| Compound ID |
CP0478922
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,9S)-8-benzhydryl-N-benzyl-7-azatricyclo[4.3.1.03,7]decan-9-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N2
|
||||||||||||||||||
| Molecular Weight |
408.589
|
||||||||||||||||||
| Canonical SMILES |
C(N[C@H]1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N2/c1-4-10-21(11-5-1)20-30-28-24-18-25-16-17-26(19-24)31(25)29(28)27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24?,25?,26?,28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIGRKPPMDORFBF-IRYDGCRRSA-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