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canSAR1633241
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NAMES
    SMILES
    COC(=O)N(C)[C@H]1[C@@H](C)CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1N
    InChI
    InChI=1S/C27H29F3N6O3/c1-14-9-17(29)23(18(30)10-14)24-16(28)5-6-20(33-24)26(37)34-21-11-32-8-7-22(21)36-12-15(2)25(19(31)13-36)35(3)27(38)39-4/h5-11,15,19,25H,12-13,31H2,1-4H3,(H,34,37)/t15-,19+,25-/m0/s1
    MOLECULAR FORMULA
    C27H29F3N6O3
    CROSS REFERENCES
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    canSAR1633241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.23
    AlogP 3.97
    HBond donors 3
    HBond acceptors 9
    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 canSAR1633241.