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canSAR1119397
FEATURES
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NAMES
    SMILES
    CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4ccc(C(F)(F)F)cc4)ccc3=O)c2)CC1
    InChI
    InChI=1S/C29H33F3N6O3/c1-3-36(4-2)27(40)21-14-16-37(17-15-21)28(41)34-24-7-5-6-20(18-24)19-38-26(39)13-12-25(35-38)33-23-10-8-22(9-11-23)29(30,31)32/h5-13,18,21H,3-4,14-17,19H2,1-2H3,(H,33,35)(H,34,41)
    MOLECULAR FORMULA
    C29H33F3N6O3
    CROSS REFERENCES
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    canSAR1119397

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.26
    AlogP 5.17
    HBond donors 2
    HBond acceptors 9
    Atoms 74
    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 canSAR1119397.