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canSAR1141567
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NAMES
    SMILES
    CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2F)cc1
    InChI
    InChI=1S/C29H34FN3O3/c1-20(2)27(19-32-15-16-33(21(3)18-32)23-7-6-8-24(34)17-23)31-29(35)22-11-13-25(14-12-22)36-28-10-5-4-9-26(28)30/h4-14,17,20-21,27,34H,15-16,18-19H2,1-3H3,(H,31,35)/t21-,27+/m0/s1
    MOLECULAR FORMULA
    C29H34FN3O3
    CROSS REFERENCES
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    canSAR1141567

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.26
    AlogP 5.29
    HBond donors 2
    HBond acceptors 6
    Atoms 70
    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 canSAR1141567.