T 91825

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 26
Total Number of Articles : 44
PubChem 9938701
Molecular Formula

C22H20N8O5S4

SMILES

CCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-]

InChI

InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1

synonyms
  • T-91825
  • 189345-04-8
  • T 91825
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Properties
Property Value
MW 604.7 g/mol
HBD 2
HBA 14
Rotatable Bond Count 8
Exact Mass 604.04395046 g/mol
Monoisotopic Mass 604.04395046 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 1040
xlogp 3.3
Topological Polar Surface Area 287