General Information of the Compound
| Compound ID |
CP0051355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N2S
|
||||||||||||||||||
| Molecular Weight |
308.45
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N2S/c1-22-14-8-6-13(7-9-14)12-18-19-16(10-11-20-18)15-4-2-3-5-17(15)21-19/h2-9,18,20-21H,10-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZTWMUALJKFQJM-UHFFFAOYSA-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