| Drug Name |
Triazolo-pyridine derivative 6
|
| Synonyms |
PMID27321640-Compound-53 |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
312.73 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.3 |
| Rotatable Bond Count (rotbonds) |
1 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C16H10ClFN4
- IUPAC Name
1-(2-chlorophenyl)-9-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline - Canonical SMILES
-
CC1=NC2=C(C(=CC=C2)F)N3C1=NN=C3C4=CC=CC=C4Cl
- InChI
-
InChI=1S/C16H10ClFN4/c1-9-15-20-21-16(10-5-2-3-6-11(10)17)22(15)14-12(18)7-4-8-13(14)19-9/h2-8H,1H3
- InChIKey
-
ZXWSCYGUZHTXLO-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71295624
- TTD ID
- D0A8EV
|
|
|
|
|
|
|
|
