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canSAR777960
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NAMES
    SMILES
    O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCCC1Cc1cccnc1
    InChI
    InChI=1S/C28H32F3N5O/c29-28(30,31)23-5-7-25(8-6-23)35-16-9-22(20-35)19-34-14-10-24(11-15-34)33-27(37)36-13-2-4-26(36)17-21-3-1-12-32-18-21/h1,3,5-9,12,16,18,20,24,26H,2,4,10-11,13-15,17,19H2,(H,33,37)
    MOLECULAR FORMULA
    C28H32F3N5O
    CROSS REFERENCES
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    canSAR777960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.26
    AlogP 5.27
    HBond donors 1
    HBond acceptors 6
    Atoms 69
    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 canSAR777960.