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canSAR1132049
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NAMES
    SMILES
    O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1
    InChI
    InChI=1S/C27H23N5O2/c33-27(31-21-9-5-2-6-10-21)32-22-13-11-19(12-14-22)15-16-28-25-24-23(20-7-3-1-4-8-20)17-34-26(24)30-18-29-25/h1-14,17-18H,15-16H2,(H,28,29,30)(H2,31,32,33)
    MOLECULAR FORMULA
    C27H23N5O2
    CROSS REFERENCES
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    canSAR1132049

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.19
    AlogP 6.19
    HBond donors 3
    HBond acceptors 7
    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 canSAR1132049.