General Information of the Compound
| Compound ID |
CP0133395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,2,3-triazole analogue, 4
Show/Hide
|
||||||||||||||||||
| Synonyms |
1,2,3-Triazole, 4-phenyl-
1,2,3-triazole analogue, 4
112614-96-7
1680-44-0
1H-1,2,3-Triazole, 4-phenyl-
4-Phenyl-1,2,3-triazole
4-Phenyl-1H-1,2,3-triazole
4-Phenyl-1H-[1,2,3]triazole
4-phenyl-1h-1,2,3,-triazole
4-phenyl-2H-[1,2,3]triazole
4-phenyl-2H-triazole
4-phenyltriazole
5-Phenyl-1H-[1,2,3]triazole
5-phenyl-1,2,3-triazole
5-phenyl-1H-1,2,3-triazole
AC1L3A0F
BDBM17448
CHEMBL193664
CTK4D2851
LUEYUHCBBXWTQT-UHFFFAOYSA-N
NSC83125
SCHEMBL8221447
SCHEMBL9868
ZINC27320
phenyltriazole
v-Triazole, 4-phenyl-
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C8H7N3
|
||||||||||||||||||
| Molecular Weight |
145.165
|
||||||||||||||||||
| Canonical SMILES |
c1[nH]nnc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUEYUHCBBXWTQT-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
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT05447, Tryptophan 2,3-dioxygenase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
LD50 > 100000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000784 | P815B | Mus musculus (Mouse) | 1 |
| 1 |
LD50 > 80000 nM
|
TI
LI
LO
TS
|
|
Clinical Information about the Compound