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canSAR2086153
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NAMES
    SMILES
    Cn1cc(CN2C[C@H]3CN(c4cncnc4)C(=O)[C@H]3C2)cn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H18N6O.C2HF3O2/c1-19-5-11(2-18-19)6-20-7-12-8-21(15(22)14(12)9-20)13-3-16-10-17-4-13;3-2(4,5)1(6)7/h2-5,10,12,14H,6-9H2,1H3;(H,6,7)/t12-,14-;/m0./s1
    MOLECULAR FORMULA
    C17H19F3N6O3
    CROSS REFERENCES
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    canSAR2086153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.15
    AlogP 0.94
    HBond donors 1
    HBond acceptors 9
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2086153.