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canSAR1153054
FEATURES
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NAMES
    SMILES
    Cc1cc(C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(S(=O)(=O)C(F)(F)F)c2)ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)nn12
    InChI
    InChI=1S/C50H48F3N5O9S3/c1-33-30-35(19-21-39(33)43-16-8-17-44-41(47(49(60)61)55-58(43)44)15-9-27-67-45-18-7-11-34-10-5-6-14-40(34)45)48(59)56-70(64,65)38-20-22-42(46(31-38)69(62,63)50(51,52)53)54-36(23-24-57-25-28-66-29-26-57)32-68-37-12-3-2-4-13-37/h2-8,10-14,16-22,30-31,36,54H,9,15,23-29,32H2,1H3,(H,56,59)(H,60,61)/t36-/m1/s1
    MOLECULAR FORMULA
    C50H48F3N5O9S3
    CROSS REFERENCES
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    canSAR1153054

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1015.26
    AlogP 8.88
    HBond donors 3
    HBond acceptors 14
    Atoms 118
    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 canSAR1153054.