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canSAR1203121
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NAMES
    SMILES
    CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(NCc2ccccc2)nc1
    InChI
    InChI=1S/C24H37BN2O4/c1-21(2,28)23(5,6)30-25(31-24(7,8)22(3,4)29)19-14-15-20(27-17-19)26-16-18-12-10-9-11-13-18/h9-15,17,28-29H,16H2,1-8H3,(H,26,27)
    MOLECULAR FORMULA
    C24H37BN2O4
    CROSS REFERENCES
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    canSAR1203121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.28
    AlogP 3.52
    HBond donors 3
    HBond acceptors 6
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1203121.