General Information of the Compound
| Compound ID |
CP0532404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3084967
Show/Hide
|
||||||||||||||||||
| Formula |
C19H25N3O2
|
||||||||||||||||||
| Molecular Weight |
327.428
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@H]1C[C@H](Cc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25N3O2/c1-22(2)16-7-13(8-16)5-14-10-20-18-4-3-12(9-17(14)18)6-15-11-24-19(23)21-15/h3-4,9-10,13,15-16,20H,5-8,11H2,1-2H3,(H,21,23)/t13-,15-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAEYRCBANJKSPM-BPUTZDHNSA-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 | |||||||||||||||||||
| 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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D