General Information of the Compound
| Compound ID |
CP0447311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[6-hydroxy-1-methyl-2-(4-pentylphenyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33NO3
|
||||||||||||||||||
| Molecular Weight |
455.598
|
||||||||||||||||||
| Canonical SMILES |
CCCCCc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33NO3/c1-3-4-5-6-22-9-14-26(15-10-22)31-20-19-24-21-27(32)16-17-28(24)30(31,2)25-12-7-23(8-13-25)11-18-29(33)34/h7-18,21,32H,3-6,19-20H2,1-2H3,(H,33,34)/b18-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZPBHNPMGAABNE-WOJGMQOQSA-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