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canSAR925937
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NAMES
    SMILES
    CC(C)NCC(Cc1ccc(F)c(F)c1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1
    InChI
    InChI=1S/C24H31F2N5OS/c1-15(2)27-12-18(10-17-4-5-19(25)20(26)11-17)24(32)31-8-6-30(7-9-31)23-22-16(3)33-13-21(22)28-14-29-23/h4-5,11,14-16,18,27H,6-10,12-13H2,1-3H3/t16-,18?/m0/s1
    MOLECULAR FORMULA
    C24H31F2N5OS
    CROSS REFERENCES
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    canSAR925937

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.22
    AlogP 3.57
    HBond donors 1
    HBond acceptors 6
    Atoms 64
    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 canSAR925937.