General Information of the Compound
Compound ID |
CP0663406
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(S)-N-Methyl-N-(3,4,5-trimethoxybenzyl)-8-aminopentacyclo[5.4.0.02,6.03,10.05,9]undecane
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C22H29NO3
|
||||||||||||||||||
Molecular Weight |
355.478
|
||||||||||||||||||
Canonical SMILES |
COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C22H29NO3/c1-23(9-10-5-15(24-2)22(26-4)16(6-10)25-3)21-18-12-8-13-17-11(12)7-14(18)19(17)20(13)21/h5-6,11-14,17-21H,7-9H2,1-4H3/t11?,12?,13?,14?,17?,18?,19?,20?,21-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
ZFZXJOHWFSRUAO-LLOIJXFCSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter