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canSAR2017052
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NAMES
    SMILES
    NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CN5CCCC5)cc4)c3)ncnc12
    InChI
    InChI=1S/C28H28N6O2/c29-26(35)23-7-4-8-24-25(23)31-18-32-27(24)30-16-20-5-3-6-22(15-20)33-28(36)21-11-9-19(10-12-21)17-34-13-1-2-14-34/h3-12,15,18H,1-2,13-14,16-17H2,(H2,29,35)(H,33,36)(H,30,31,32)
    MOLECULAR FORMULA
    C28H28N6O2
    CROSS REFERENCES
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    canSAR2017052

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.23
    AlogP 4.19
    HBond donors 4
    HBond acceptors 8
    Atoms 64
    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 canSAR2017052.