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canSAR1836393
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NAMES
    SMILES
    O.O=C1NCCN1CCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccccc32)CC1
    InChI
    InChI=1S/C24H29FN4O.H2O/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30;/h1-8,22-23H,9-17H2,(H,26,30);1H2/t22-,23+;/m1./s1
    MOLECULAR FORMULA
    C24H31FN4O2
    CROSS REFERENCES
    1836393 logo

    canSAR1836393

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.24
    AlogP 2.22
    HBond donors 3
    HBond acceptors 6
    Atoms 62
    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 canSAR1836393.