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canSAR54727
FEATURES
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NAMES
    SMILES
    O=C1CC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)c2cccnc2N1
    InChI
    InChI=1S/C27H28F5N5O3/c28-19-5-1-3-17(22(19)29)16-6-7-20(24(39)37(14-16)15-27(30,31)32)34-25(40)36-11-8-26(9-12-36)13-21(38)35-23-18(26)4-2-10-33-23/h1-5,10,16,20H,6-9,11-15H2,(H,34,40)(H,33,35,38)/t16-,20-/m1/s1
    MOLECULAR FORMULA
    C27H28F5N5O3
    CROSS REFERENCES
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    canSAR54727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.21
    AlogP 4.08
    HBond donors 2
    HBond acceptors 8
    Atoms 68
    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 canSAR54727.