General Information of the Compound
| Compound ID |
CP0035121
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methylene)-2,3,4a,5,6,10b-hexahydronaphtho[1,2-b][1,4]dithiin-9-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C24H28N2O2S2
|
||||||||||||||||||
| Molecular Weight |
440.634
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDGNZGCNNSGECT-MFKUBSTISA-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