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canSAR1025328
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NAMES
    SMILES
    COCCCNc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1
    InChI
    InChI=1S/C14H19F3N6O2/c1-24-6-3-5-18-11-10-12(20-13(19-11)14(15,16)17)23(22-21-10)8-9-4-2-7-25-9/h9H,2-8H2,1H3,(H,18,19,20)/t9-/m1/s1
    MOLECULAR FORMULA
    C14H19F3N6O2
    CROSS REFERENCES
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    canSAR1025328

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 360.15
    AlogP 1.87
    HBond donors 1
    HBond acceptors 8
    Atoms 44
    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 canSAR1025328.