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canSAR1534463
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NAMES
    SMILES
    CC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)OCCF)c3)nn2)s1)c1ccccc1
    InChI
    InChI=1S/C31H34FN7O4S/c1-21(24-10-3-2-4-11-24)29(41)35-30-39-38-28(44-30)13-6-5-12-25-14-15-26(37-36-25)34-27(40)19-22-8-7-9-23(18-22)20-33-31(42)43-17-16-32/h2-4,7-11,14-15,18,21H,5-6,12-13,16-17,19-20H2,1H3,(H,33,42)(H,34,37,40)(H,35,39,41)
    MOLECULAR FORMULA
    C31H34FN7O4S
    CROSS REFERENCES
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    canSAR1534463

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 619.24
    AlogP 5.01
    HBond donors 3
    HBond acceptors 11
    Atoms 78
    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 canSAR1534463.