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canSAR671697
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NAMES
    SMILES
    O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1
    InChI
    InChI=1S/C28H33N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h4-6,9-15,17,19,22,27,30,32H,1-3,7-8,16,18,20H2,(H,31,33)/t27-/m0/s1
    MOLECULAR FORMULA
    C28H33N3O2
    CROSS REFERENCES
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    canSAR671697

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.26
    AlogP 5.25
    HBond donors 3
    HBond acceptors 5
    Atoms 66
    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 canSAR671697.