General Information of the Compound
| Compound ID |
CP0380352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[benzyl(propan-2-yl)amino]ethyl]-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39N3O3S
|
||||||||||||||||||
| Molecular Weight |
533.738
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1c(C)cc(C)cc1C)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N3O3S/c1-22(2)33(20-26-9-7-6-8-10-26)16-14-32-31(35)28-11-12-29-21-34(15-13-27(29)19-28)38(36,37)30-24(4)17-23(3)18-25(30)5/h6-12,17-19,22H,13-16,20-21H2,1-5H3,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLOPMFWLQWNBML-UHFFFAOYSA-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