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canSAR120229
FEATURES
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NAMES
    SMILES
    O=c1ccn([C@@H]2O[C@H](CP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1
    InChI
    InChI=1S/C18H24N4O16P2/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(36-15)5-35-40(33,34)38-39(31,32)6-8-12(26)14(28)16(37-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
    MOLECULAR FORMULA
    C18H24N4O16P2
    CROSS REFERENCES
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    canSAR120229

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 614.07
    AlogP -4.36
    HBond donors 8
    HBond acceptors 20
    Atoms 64
    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 canSAR120229.