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canSAR499517
FEATURES
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NAMES
    SMILES
    CCn1nc(Cc2ccc(OC)c(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1
    InChI
    InChI=1S/C36H46FN5O3/c1-6-42-32(19-30(39-42)17-24-10-11-33(45-5)27(16-24)20-38)25-12-14-40(15-13-25)21-28-22-41(34(35(43)44)36(2,3)4)23-31(28)26-8-7-9-29(37)18-26/h7-11,16,18-19,25,28,31,34H,6,12-15,17,21-23H2,1-5H3,(H,43,44)/t28-,31+,34-/m0/s1
    MOLECULAR FORMULA
    C36H46FN5O3
    CROSS REFERENCES
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    canSAR499517

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.36
    AlogP 5.91
    HBond donors 1
    HBond acceptors 8
    Atoms 91
    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 canSAR499517.