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canSAR563186
FEATURES
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NAMES
    SMILES
    CC1OC(OC2CCCCC2OC2OC(CNC(=O)c3ccccc3)C(O)C(OC(Cc3ccccc3)C(=O)[O-])C2O)C(O)C(O)C1O.[Na+]
    InChI
    InChI=1S/C34H45NO13.Na/c1-18-25(36)27(38)28(39)33(44-18)46-21-14-8-9-15-22(21)47-34-29(40)30(45-23(32(42)43)16-19-10-4-2-5-11-19)26(37)24(48-34)17-35-31(41)20-12-6-3-7-13-20;/h2-7,10-13,18,21-30,33-34,36-40H,8-9,14-17H2,1H3,(H,35,41)(H,42,43);/q;+1/p-1
    MOLECULAR FORMULA
    C34H44NNaO13
    CROSS REFERENCES
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    canSAR563186

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 697.27
    AlogP -4.21
    HBond donors 6
    HBond acceptors 14
    Atoms 93
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR563186.