General Information of the Compound
| Compound ID |
CP0435454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[1-(4-chloro-2-nitrophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17ClN6O2
|
||||||||||||||||||
| Molecular Weight |
408.849
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cc(Cl)ccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17ClN6O2/c21-13-5-6-19(20(9-13)27(28)29)26-11-14(23-24-26)10-25-8-7-16-15-3-1-2-4-17(15)22-18(16)12-25/h1-6,9,11,22H,7-8,10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PONJARPOWZXBHP-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