Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 18th, 2009 |
33 |
Yes
|
Popular Name:
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2
N-(3-cyano-1-phenyl-4,5,6,7-tetr…
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Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
3.46 |
15.45 |
-20.4 |
1 |
8 |
0 |
101 |
457.563 |
5 |
↓
|
Rings
-
4H-1,2,4-triazole
-
Pyrrole
-
Pyrimidine
-
Benzene
-
Cyclohexene
-
[1,2,4]triazolo[1,5-a]pyrimidine
![[1,2,4]triazolo[1,5-a]pyrimidine](//zinc12.docking.org/img/rings/1393.gif)
-
4,5,6,7-tetrahydro-1H-indole
-
N-(1-phenyl-4,5,6,7-tetrahydroin…
![N-(1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)acetamide](//zinc12.docking.org/img/rings/145198.gif)
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[1,5-a]pyrimidine](http://zinc12.docking.org/img/rings/1393.gif)
![N-(1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)acetamide](http://zinc12.docking.org/img/rings/145198.gif)