General Information of the Compound
| Compound ID |
CP0198574
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide;2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36F3N3O3
|
||||||||||||||||||
| Molecular Weight |
519.608
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(F)(F)F.CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O.C2HF3O2/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3;(H,6,7)/t25-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNYXNORIRVJTAO-VQIWEWKSSA-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor