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canSAR1149646
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NAMES
    SMILES
    COC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NNC(=O)[C@H](CCCCN)NC(=O)Cc1cc(OC)ccc1OC)C(F)(F)F
    InChI
    InChI=1S/C30H40F3N5O7/c1-43-21-12-13-24(44-2)20(16-21)17-26(39)35-22(11-7-8-14-34)28(41)38-37-25(30(31,32)33)18-27(40)36-23(29(42)45-3)15-19-9-5-4-6-10-19/h4-6,9-10,12-13,16,22-23,25,37H,7-8,11,14-15,17-18,34H2,1-3H3,(H,35,39)(H,36,40)(H,38,41)/t22-,23-,25?/m0/s1
    MOLECULAR FORMULA
    C30H40F3N5O7
    CROSS REFERENCES
    1149646 logo

    canSAR1149646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 639.29
    AlogP 1.70
    HBond donors 6
    HBond acceptors 12
    Atoms 85
    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 canSAR1149646.