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canSAR1509529
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NAMES
    SMILES
    CN(C)c1ccc(-n2c(O)c(CCc3ccccc3)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2=S)cc1
    InChI
    InChI=1S/C33H31N7OS/c1-38(2)26-17-19-27(20-18-26)40-32(41)30(21-14-23-8-4-3-5-9-23)39(33(40)42)22-24-12-15-25(16-13-24)28-10-6-7-11-29(28)31-34-36-37-35-31/h3-13,15-20,41H,14,21-22H2,1-2H3,(H,34,35,36,37)
    MOLECULAR FORMULA
    C33H31N7OS
    CROSS REFERENCES
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    canSAR1509529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.23
    AlogP 6.46
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1509529.