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canSAR1985551
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)cc2)cc1OC
    InChI
    InChI=1S/C24H27N3O3/c1-29-21-10-8-17(13-22(21)30-2)16-5-3-15(4-6-16)11-20(14-25)27-24(28)23-18-7-9-19(12-18)26-23/h3-6,8,10,13,18-20,23,26H,7,9,11-12H2,1-2H3,(H,27,28)/t18-,19+,20-,23-/m0/s1
    MOLECULAR FORMULA
    C24H27N3O3
    CROSS REFERENCES
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    canSAR1985551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.21
    AlogP 3.06
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR1985551.