General Information of the Compound
| Compound ID |
CP0521090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R)-2-methyl-1-oxo-3-(4-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19NO4
|
||||||||||||||||||
| Molecular Weight |
373.408
|
||||||||||||||||||
| Canonical SMILES |
CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19NO4/c1-24-21(20(23(26)27)18-9-5-6-10-19(18)22(24)25)15-11-13-17(14-12-15)28-16-7-3-2-4-8-16/h2-14,20-21H,1H3,(H,26,27)/t20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDYIMYZYEPQLHV-RTWAWAEBSA-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