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canSAR2083864
FEATURES
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NAMES
    SMILES
    CC1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3c3ncc(F)cn3)O2)CC1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H25FN4O2.C2HF3O2/c1-12-4-7-22(8-5-12)17(24)16-3-2-14-15(25-16)6-9-23(14)18-20-10-13(19)11-21-18;3-2(4,5)1(6)7/h10-12,14-16H,2-9H2,1H3;(H,6,7)/t14-,15-,16+;/m1./s1
    MOLECULAR FORMULA
    C20H26F4N4O4
    CROSS REFERENCES
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    canSAR2083864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.19
    AlogP 2.63
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    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 canSAR2083864.