General Information of the Compound
| Compound ID |
CP0371749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,3'-((2Z,2'Z)-4,4'-(3,4-dimethoxyphenethylazanediyl)bis(but-2-ene-4,1-diyl))bis(7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H49N3O8
|
||||||||||||||||||
| Molecular Weight |
723.867
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCN(C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C\C=C/CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H49N3O8/c1-48-35-12-11-30(23-36(35)49-2)13-20-43(16-7-9-18-44-21-14-31-24-37(50-3)39(52-5)26-33(31)28-41(44)46)17-8-10-19-45-22-15-32-25-38(51-4)40(53-6)27-34(32)29-42(45)47/h7-12,14-15,21-27H,13,16-20,28-29H2,1-6H3/b9-7-,10-8-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYAMGVKMAKVYBM-XOHWUJONSA-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