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canSAR1062577
FEATURES
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NAMES
    SMILES
    CNc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C18H28IN7O5/c1-21-15-12-16(23-8-22-15)26(9-24-12)17-14(28)13(27)11(31-17)7-25(6-4-19)5-2-3-10(20)18(29)30/h8-11,13-14,17,27-28H,2-7,20H2,1H3,(H,29,30)(H,21,22,23)/t10-,11+,13+,14+,17+/m0/s1
    MOLECULAR FORMULA
    C18H28IN7O5
    CROSS REFERENCES
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    canSAR1062577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.12
    AlogP -0.58
    HBond donors 6
    HBond acceptors 12
    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 canSAR1062577.