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canSAR1061036
FEATURES
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NAMES
    SMILES
    O=C(OCc1ccccc1)[C@@H]1CCCN1P(=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc12
    InChI
    InChI=1S/C31H31FN3O9P/c32-23-17-34(31(39)33-29(23)37)28-16-25(36)27(43-28)19-42-45(40,44-26-14-6-11-21-10-4-5-12-22(21)26)35-15-7-13-24(35)30(38)41-18-20-8-2-1-3-9-20/h1-6,8-12,14,17,24-25,27-28,36H,7,13,15-16,18-19H2,(H,33,37,39)/t24-,25-,27+,28+,45?/m0/s1
    MOLECULAR FORMULA
    C31H31FN3O9P
    CROSS REFERENCES
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    canSAR1061036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 639.18
    AlogP 3.89
    HBond donors 2
    HBond acceptors 12
    Atoms 76
    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 canSAR1061036.