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TDW
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NAMES
  • TDW
SMILES
Cc1ncc(C[n+]2c(C(C)O)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChI
InChI=1S/C14H24N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,18-19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/t9-/m0/s1
MOLECULAR FORMULA
C14H23N4O8P2S+
CROSS REFERENCES
  • UniChem: 68940477
  • canSAR: 1148806
  • PDBe (Protein Data Bank Europe): TDW
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TDW

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 469.07
AlogP 0.90
HBond donors 6
HBond acceptors 12
Atoms 52
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 TDW.