General Information of the Compound
| Compound ID |
CP0045216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methyl-4-(pyridin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N3O
|
||||||||||||||||||
| Molecular Weight |
399.538
|
||||||||||||||||||
| Canonical SMILES |
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N3O/c1-28(2)18-19-6-7-23-16-25(13-12-22(23)15-19)29(3)26(30)21-10-8-20(9-11-21)24-5-4-14-27-17-24/h4-11,14-15,17,25H,12-13,16,18H2,1-3H3/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSZFEVMVIMZBDA-VWLOTQADSA-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