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canSAR565727
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NAMES
    SMILES
    O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)C(Cc1ccc3ccccc3c1)CCC2.[Na+]
    InChI
    InChI=1S/C31H31FN2O4.Na/c32-24-10-12-25(13-11-24)34-29(15-14-26(35)18-27(36)19-30(37)38)28-7-3-6-23(31(28)33-34)17-20-8-9-21-4-1-2-5-22(21)16-20;/h1-2,4-5,8-16,23,26-27,35-36H,3,6-7,17-19H2,(H,37,38);/q;+1/p-1/b15-14+;/t23?,26-,27-;/m1./s1
    MOLECULAR FORMULA
    C31H30FN2NaO4
    CROSS REFERENCES
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    canSAR565727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.21
    AlogP 1.10
    HBond donors 2
    HBond acceptors 6
    Atoms 69
    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 canSAR565727.