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canSAR1131153
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NAMES
    SMILES
    Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CC=CCC2)CC1
    InChI
    InChI=1S/C25H27ClN2/c26-21-10-11-23-20(17-21)9-8-19-5-4-14-27-25(19)24(23)18-12-15-28(16-13-18)22-6-2-1-3-7-22/h1-2,4-5,10-11,14,17,22H,3,6-9,12-13,15-16H2
    MOLECULAR FORMULA
    C25H27ClN2
    CROSS REFERENCES
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    canSAR1131153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.19
    AlogP 5.84
    HBond donors 0
    HBond acceptors 2
    Atoms 55
    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 canSAR1131153.