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canSAR1721273
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NAMES
    SMILES
    CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)N[C@@H]1CC=C(c2ccncc2)CC1
    InChI
    InChI=1S/C28H27N7O/c1-18(2)33-25-14-26(35-12-9-22-13-19(15-29)16-32-27(22)35)31-17-24(25)28(36)34-23-5-3-20(4-6-23)21-7-10-30-11-8-21/h3,7-14,16-18,23H,4-6H2,1-2H3,(H,31,33)(H,34,36)/t23-/m1/s1
    MOLECULAR FORMULA
    C28H27N7O
    CROSS REFERENCES
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    canSAR1721273

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.23
    AlogP 4.87
    HBond donors 2
    HBond acceptors 8
    Atoms 63
    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 canSAR1721273.