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canSAR558010
FEATURES
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NAMES
    SMILES
    Cc1nn(-c2ccccc2)c2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12.[Na+]
    InChI
    InChI=1S/C29H30FN3O4.Na/c1-17(2)28-24(14-13-22(34)15-23(35)16-25(36)37)27(19-9-11-20(30)12-10-19)26-18(3)32-33(29(26)31-28)21-7-5-4-6-8-21;/h4-14,17,22-23,34-35H,15-16H2,1-3H3,(H,36,37);/q;+1/p-1/b14-13+;/t22-,23-;/m1./s1
    MOLECULAR FORMULA
    C29H29FN3NaO4
    CROSS REFERENCES
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    canSAR558010

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.20
    AlogP 0.93
    HBond donors 2
    HBond acceptors 7
    Atoms 67
    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 canSAR558010.