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0L6
FEATURES
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NAMES
  • 0L6
SMILES
NCCCC#CC1=C(N)NC(=O)N(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C1
InChI
InChI=1S/C14H25N4O13P3/c15-5-3-1-2-4-9-7-18(14(20)17-13(9)16)12-6-10(19)11(29-12)8-28-33(24,25)31-34(26,27)30-32(21,22)23/h10-12,19H,1,3,5-8,15-16H2,(H,17,20)(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11+,12+/m0/s1
MOLECULAR FORMULA
C14H25N4O13P3
CROSS REFERENCES
  • UniChem: 27264876
  • canSAR: 1017270
  • PDBe (Protein Data Bank Europe): 0L6
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0L6

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 550.06
AlogP -1.26
HBond donors 10
HBond acceptors 17
Atoms 59
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 0L6.