General Information of the Compound
| Compound ID |
CP0447310
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[6-hydroxy-1-methyl-2-(3-propan-2-ylphenyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29NO3
|
||||||||||||||||||
| Molecular Weight |
427.544
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29NO3/c1-19(2)21-5-4-6-24(17-21)29-16-15-22-18-25(30)12-13-26(22)28(29,3)23-10-7-20(8-11-23)9-14-27(31)32/h4-14,17-19,30H,15-16H2,1-3H3,(H,31,32)/b14-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZXYRVRQWJMXCZ-NTEUORMPSA-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