General Information of the Compound
| Compound ID |
CP0236195
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (3S)-2-benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N2O2
|
||||||||||||||||||
| Molecular Weight |
320.392
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H]1Cc2c(CN1Cc1ccccc1)[nH]c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2O2/c1-24-20(23)19-11-16-15-9-5-6-10-17(15)21-18(16)13-22(19)12-14-7-3-2-4-8-14/h2-10,19,21H,11-13H2,1H3/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHPBGDBTBGLGOG-IBGZPJMESA-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