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canSAR784378
FEATURES
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NAMES
    SMILES
    CC(Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
    InChI
    InChI=1S/C31H33N5O4/c1-31(29(37)38,40-26-10-6-3-7-11-26)21-23-12-14-25(15-13-23)39-28-20-27(33-30(32)34-28)36-18-16-35(17-19-36)22-24-8-4-2-5-9-24/h2-15,20H,16-19,21-22H2,1H3,(H,37,38)(H2,32,33,34)
    MOLECULAR FORMULA
    C31H33N5O4
    CROSS REFERENCES
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    canSAR784378

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.25
    AlogP 4.64
    HBond donors 3
    HBond acceptors 9
    Atoms 73
    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 canSAR784378.