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canSAR2020688
FEATURES
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NAMES
    SMILES
    Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)N1CCN(C)CC1
    InChI
    InChI=1S/C20H24N4O3S/c1-13-18(19(27)23-9-7-22(2)8-10-23)28-20(21-13)24-6-5-15-14(11-24)3-4-17(26)16(15)12-25/h3-4,12,26H,5-11H2,1-2H3
    MOLECULAR FORMULA
    C20H24N4O3S
    CROSS REFERENCES
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    canSAR2020688

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.16
    AlogP 1.92
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR2020688.