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TMV
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NAMES
  • TMV
SMILES
Cc1ncc(C[n+]2csc(CCOP(=O)(O)O[V](O)(O)(O)O)c2C)c(N)n1
InChI
InChI=1S/C12H17N4O4PS.4H2O.V/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);4*1H2;/q;;;;;+5/p-4
MOLECULAR FORMULA
C12H21N4O8PSV+
CROSS REFERENCES
  • UniChem: 82237641
  • canSAR: 1103757
  • PDBe (Protein Data Bank Europe): TMV
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TMV

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 462.03
AlogP -1.02
HBond donors 7
HBond acceptors 12
Atoms 48
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TMV.