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canSAR1445702
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NAMES
    SMILES
    CCNC(=O)C1=C(c2ccccc2)N=C(C)C(C(=O)OCC)C1C#Cc1ccccc1
    InChI
    InChI=1S/C26H26N2O3/c1-4-27-25(29)23-21(17-16-19-12-8-6-9-13-19)22(26(30)31-5-2)18(3)28-24(23)20-14-10-7-11-15-20/h6-15,21-22H,4-5H2,1-3H3,(H,27,29)
    MOLECULAR FORMULA
    C26H26N2O3
    CROSS REFERENCES
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    canSAR1445702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.19
    AlogP 3.86
    HBond donors 1
    HBond acceptors 5
    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 canSAR1445702.