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canSAR1591537
FEATURES
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NAMES
    SMILES
    Cc1cc(N[C@H](CC(C)C)C(=O)Nc2ccccc2)nc(NCCc2ccc(F)cc2)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H30FN5O.C2HF3O2/c1-17(2)15-22(24(32)29-21-7-5-4-6-8-21)30-23-16-18(3)28-25(31-23)27-14-13-19-9-11-20(26)12-10-19;3-2(4,5)1(6)7/h4-12,16-17,22H,13-15H2,1-3H3,(H,29,32)(H2,27,28,30,31);(H,6,7)
    MOLECULAR FORMULA
    C27H31F4N5O3
    CROSS REFERENCES
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    canSAR1591537

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.24
    AlogP 5.68
    HBond donors 4
    HBond acceptors 8
    Atoms 70
    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 canSAR1591537.