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canSAR2090092
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NAMES
    SMILES
    COc1cc(N2C[C@H]3CCC[C@@H](CN(C)C)[C@H]3C2)ncn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H26N4O.C2HF3O2/c1-19(2)8-12-5-4-6-13-9-20(10-14(12)13)15-7-16(21-3)18-11-17-15;3-2(4,5)1(6)7/h7,11-14H,4-6,8-10H2,1-3H3;(H,6,7)/t12-,13+,14+;/m0./s1
    MOLECULAR FORMULA
    C18H27F3N4O3
    CROSS REFERENCES
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    canSAR2090092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.20
    AlogP 2.53
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    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 canSAR2090092.