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canSAR20898
FEATURES
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NAMES
    SMILES
    O=C1O[C@@H](COC2CNCCN2)CN1c1ccc(N2CCN(c3ccccc3Cl)CC2)c(F)c1
    InChI
    InChI=1S/C24H29ClFN5O3/c25-19-3-1-2-4-21(19)29-9-11-30(12-10-29)22-6-5-17(13-20(22)26)31-15-18(34-24(31)32)16-33-23-14-27-7-8-28-23/h1-6,13,18,23,27-28H,7-12,14-16H2/t18-,23?/m1/s1
    MOLECULAR FORMULA
    C24H29ClFN5O3
    CROSS REFERENCES
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    canSAR20898

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.19
    AlogP 2.67
    HBond donors 2
    HBond acceptors 8
    Atoms 63
    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 canSAR20898.