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canSAR2087775
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=S(=O)(C1CC1)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1
    InChI
    InChI=1S/C16H21FN2O4S.C2HF3O2/c17-13-2-1-7-18-15(13)23-11-16-6-9-22-14(16)5-8-19(10-16)24(20,21)12-3-4-12;3-2(4,5)1(6)7/h1-2,7,12,14H,3-6,8-11H2;(H,6,7)/t14-,16+;/m1./s1
    MOLECULAR FORMULA
    C18H22F4N2O6S
    CROSS REFERENCES
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    canSAR2087775

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.11
    AlogP 2.21
    HBond donors 1
    HBond acceptors 8
    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 canSAR2087775.