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canSAR1637710
FEATURES
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NAMES
    SMILES
    Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)cc12
    InChI
    InChI=1S/C30H29F3N2O4/c1-17-19(3)35(16-21-6-5-7-25(14-21)39-20(4)29(37)38)27-13-10-23(15-26(17)27)28(36)34-18(2)22-8-11-24(12-9-22)30(31,32)33/h5-15,18,20H,16H2,1-4H3,(H,34,36)(H,37,38)/t18-,20-/m0/s1
    MOLECULAR FORMULA
    C30H29F3N2O4
    CROSS REFERENCES
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    canSAR1637710

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.21
    AlogP 6.67
    HBond donors 2
    HBond acceptors 6
    Atoms 68
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1637710.