General Information of the Compound
| Compound ID |
CP0485569
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R)-3-(4-(benzyloxy)phenyl)-1-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25NO4
|
||||||||||||||||||
| Molecular Weight |
415.489
|
||||||||||||||||||
| Canonical SMILES |
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(OCc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25NO4/c1-2-16-27-24(23(26(29)30)21-10-6-7-11-22(21)25(27)28)19-12-14-20(15-13-19)31-17-18-8-4-3-5-9-18/h3-15,23-24H,2,16-17H2,1H3,(H,29,30)/t23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBHOQESCXBCMJH-RPWUZVMVSA-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