General Information of the Compound
| Compound ID |
CP0254126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-methyl 6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyleneamino)indoline-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C22H25N3O4
|
||||||||||||||||||
| Molecular Weight |
395.459
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O4/c1-27-20-10-16-6-8-24(13-17(16)11-21(20)28-2)14-23-18-5-4-15-7-9-25(19(15)12-18)22(26)29-3/h4-5,10-12,14H,6-9,13H2,1-3H3/b23-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHARLZVPHXBHLQ-OEAKJJBVSA-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