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canSAR1686844
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NAMES
    SMILES
    O=C(Oc1ccccc1)N1CCC(c2nc(C3=NOC4(CCCc5ccccc54)C3)cs2)CC1
    InChI
    InChI=1S/C24H20N2O7/c1-14-6-7-16(12-20(14)26(31)32)21(27)13-33-24(30)15-8-10-17(11-9-15)25-22(28)18-4-2-3-5-19(18)23(25)29/h2-3,6-12,28-29H,4-5,13H2,1H3
    MOLECULAR FORMULA
    C27H27N3O3S
    CROSS REFERENCES
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    canSAR1686844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.18
    AlogP 5.88
    HBond donors 0
    HBond acceptors 6
    Atoms 61
    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 canSAR1686844.