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canSAR1864108
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NAMES
    SMILES
    COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3C(F)(F)F)CC2)c1
    InChI
    InChI=1S/C32H38F3N5O5/c1-19-26(29(41)44-3)28(27(20(2)38-19)30(42)45-4)21-8-7-9-23(18-21)39-31(43)37-15-14-36-22-12-16-40(17-13-22)25-11-6-5-10-24(25)32(33,34)35/h5-11,18,22,26,28,36H,12-17H2,1-4H3,(H2,37,39,43)
    MOLECULAR FORMULA
    C32H38F3N5O5
    CROSS REFERENCES
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    canSAR1864108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 629.28
    AlogP 4.88
    HBond donors 3
    HBond acceptors 10
    Atoms 83
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1864108.