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canSAR643427
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NAMES
    SMILES
    Cl.OCCNCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
    InChI
    InChI=1S/C24H31F3N4OS.ClH/c25-24(26,27)19-6-7-23-21(18-19)31(20-4-1-2-5-22(20)33-23)11-3-10-29-13-15-30(16-14-29)12-8-28-9-17-32;/h1-2,4-7,18,28,32H,3,8-17H2;1H
    MOLECULAR FORMULA
    C24H32ClF3N4OS
    CROSS REFERENCES
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    canSAR643427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.19
    AlogP 4.32
    HBond donors 2
    HBond acceptors 5
    Atoms 66
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR643427.