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canSAR2084295
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NAMES
    SMILES
    COc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1
    InChI
    InChI=1S/C26H28N4O2/c1-31-18-8-6-16(7-9-18)23-15-27-26(30-23)22-14-20-19-4-2-3-5-21(19)28-25(20)24(29-22)17-10-12-32-13-11-17/h2-9,15,17,22,24,28-29H,10-14H2,1H3,(H,27,30)/t22-,24-/m1/s1
    MOLECULAR FORMULA
    C26H28N4O2
    CROSS REFERENCES
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    canSAR2084295

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.22
    AlogP 4.92
    HBond donors 3
    HBond acceptors 6
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2084295.