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canSAR1122009
FEATURES
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NAMES
    SMILES
    COc1ccc(CC(=O)NCCNC(=O)C2(NC(=O)c3ccc(C(F)(F)F)nc3)CCN(Cc3ccccc3)CC2)cc1OC
    InChI
    InChI=1S/C32H36F3N5O5/c1-44-25-10-8-23(18-26(25)45-2)19-28(41)36-14-15-37-30(43)31(12-16-40(17-13-31)21-22-6-4-3-5-7-22)39-29(42)24-9-11-27(38-20-24)32(33,34)35/h3-11,18,20H,12-17,19,21H2,1-2H3,(H,36,41)(H,37,43)(H,39,42)
    MOLECULAR FORMULA
    C32H36F3N5O5
    CROSS REFERENCES
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    canSAR1122009

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.27
    AlogP 3.36
    HBond donors 3
    HBond acceptors 10
    Atoms 81
    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 canSAR1122009.