General Information of the Compound
| Compound ID |
CP0508766
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-butyl-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H32N2O3
|
||||||||||||||||||
| Molecular Weight |
504.63
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H32N2O3/c1-2-3-10-24-17-19-28(20-18-24)34-32(36)31-22-25-11-7-8-12-27(25)23-35(31)33(37)26-13-9-16-30(21-26)38-29-14-5-4-6-15-29/h4-9,11-21,31H,2-3,10,22-23H2,1H3,(H,34,36)/t31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXVPODVZSYHHEU-WJOKGBTCSA-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