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canSAR1145065
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H]1[C@@H](COP(=O)(O)O[C@@H]2[C@@H](COP(=O)(O)O[C@@H]3[C@@H](CO)O[C@@H](n4ccc(N)nc4=O)[C@@H]3O)O[C@@H](n3ccc(N)nc3=O)[C@@H]2O)O[C@@H](n2cnc3c(N(C)C)ncnc32)[C@@H]1O
    InChI
    InChI=1S/C32H44N12O18P2/c1-13(46)38-19-15(59-28(21(19)47)44-12-37-20-26(41(2)3)35-11-36-27(20)44)9-56-63(52,53)62-25-16(60-30(23(25)49)43-7-5-18(34)40-32(43)51)10-57-64(54,55)61-24-14(8-45)58-29(22(24)48)42-6-4-17(33)39-31(42)50/h4-7,11-12,14-16,19,21-25,28-30,45,47-49H,8-10H2,1-3H3,(H,38,46)(H,52,53)(H,54,55)(H2,33,39,50)(H2,34,40,51)/t14-,15-,16-,19-,21-,22-,23-,24-,25-,28-,29-,30-/m1/s1
    MOLECULAR FORMULA
    C32H44N12O18P2
    CROSS REFERENCES
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    canSAR1145065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 946.24
    AlogP -4.15
    HBond donors 11
    HBond acceptors 30
    Atoms 108
    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 canSAR1145065.