General Information of Drug (ID: DMCWI21)

Drug Name
4pox
Indication
Disease Entry ICD 11 Status REF
Virus infection 1A24-1D9Z Investigative [1]
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C11H20N4O6+2
Canonical SMILES
C(CC(=O)O)C(C(=O)O)[NH2+]C(CC=C[NH+]=C(N)N)C(=O)O
InChI
1S/C11H18N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h1,5-7,15H,2-4H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/p+2/b5-1+/t6-,7+/m0/s1
InChIKey
DZPHZEAZEBNTEK-NOCGQDKXSA-P
Cross-matching ID
PubChem CID
117072136
TTD ID
D0G6BU

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.