General Information of the Compound
| Compound ID |
CP0423642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (1R,2R,3S,3aR,8bS)-3a-(4-cyanophenyl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25NO7
|
||||||||||||||||||
| Molecular Weight |
487.508
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(cc1)C#N)cc(OC)cc3OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25NO7/c1-33-19-13-20(34-2)24-21(14-19)36-28(18-11-9-16(15-29)10-12-18)23(17-7-5-4-6-8-17)22(26(31)35-3)25(30)27(24,28)32/h4-14,22-23,25,30,32H,1-3H3/t22-,23-,25-,27+,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZIWUVAPRYAGMM-GWNOIRNCSA-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