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canSAR561939
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1cccnc1)NCCCCN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C29H33FN4O.C2H2O4/c30-27-13-11-26(12-14-27)29(25-8-2-1-3-9-25)34-21-19-33(20-22-34)18-5-4-17-32-28(35)15-10-24-7-6-16-31-23-24;3-1(4)2(5)6/h1-3,6-16,23,29H,4-5,17-22H2,(H,32,35);(H,3,4)(H,5,6)/b15-10+;
    MOLECULAR FORMULA
    C31H35FN4O5
    CROSS REFERENCES
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    canSAR561939

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.26
    AlogP 3.69
    HBond donors 3
    HBond acceptors 9
    Atoms 76
    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 canSAR561939.