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canSAR2090894
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O[C@H]1CCN(CC2CC2)[C@H]1Cc1ccncc1
    InChI
    InChI=1S/C14H20N2O.2C2HF3O2/c17-14-5-8-16(10-12-1-2-12)13(14)9-11-3-6-15-7-4-11;2*3-2(4,5)1(6)7/h3-4,6-7,12-14,17H,1-2,5,8-10H2;2*(H,6,7)/t13-,14-;;/m0../s1
    MOLECULAR FORMULA
    C18H22F6N2O5
    CROSS REFERENCES
    2090894 logo

    canSAR2090894

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.14
    AlogP 2.74
    HBond donors 3
    HBond acceptors 7
    Atoms 53
    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 canSAR2090894.