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canSAR1127946
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NAMES
    SMILES
    C=CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)cc1
    InChI
    InChI=1S/C27H28N8O3/c1-4-24(36)30-18-5-7-19(8-6-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-10-9-20(15-23(21)38-3)34-13-11-33(2)12-14-34/h4-10,15-17H,1,11-14H2,2-3H3,(H,30,36)(H,29,31,32)
    MOLECULAR FORMULA
    C27H28N8O3
    CROSS REFERENCES
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    canSAR1127946

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.23
    AlogP 2.80
    HBond donors 2
    HBond acceptors 11
    Atoms 66
    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 canSAR1127946.