General Information of the Compound
| Compound ID |
CP0535786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N5
|
||||||||||||||||||
| Molecular Weight |
371.488
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N5/c1-16(2)17-6-5-7-19(12-17)28-14-18(25-26-28)13-27-11-10-21-20-8-3-4-9-22(20)24-23(21)15-27/h3-9,12,14,16,24H,10-11,13,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIJMNLRVDIZNJE-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