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TD8
FEATURES
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NAMES
  • TD8
SMILES
Cc1ncc(C[n+]2c(C(O)CCCC(=O)O)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChI
InChI=1S/C17H26N4O10P2S/c1-10-14(6-7-30-33(28,29)31-32(25,26)27)34-17(13(22)4-3-5-15(23)24)21(10)9-12-8-19-11(2)20-16(12)18/h8,13,22H,3-7,9H2,1-2H3,(H5-,18,19,20,23,24,25,26,27,28,29)/p-3/t13-/m1/s1
MOLECULAR FORMULA
C17H27N4O10P2S+
CROSS REFERENCES
  • UniChem: 68940475
  • canSAR: 1148966
  • PDBe (Protein Data Bank Europe): TD8
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TD8

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 541.09
AlogP 1.13
HBond donors 7
HBond acceptors 14
Atoms 61
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 TD8.