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canSAR1688812
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NAMES
    SMILES
    CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(S(=O)Cc4cncn4CCC)cc2)CCCCCN3CCC)cc1
    InChI
    InChI=1S/C42H54N4O4S/c1-4-7-25-49-26-27-50-39-17-12-33(13-18-39)34-14-21-41-36(28-34)29-35(11-9-8-10-24-45(41)22-5-2)42(47)44-37-15-19-40(20-16-37)51(48)31-38-30-43-32-46(38)23-6-3/h12-21,28-30,32H,4-11,22-27,31H2,1-3H3,(H,44,47)
    MOLECULAR FORMULA
    C42H54N4O4S
    CROSS REFERENCES
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    canSAR1688812

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 710.39
    AlogP 9.28
    HBond donors 1
    HBond acceptors 8
    Atoms 105
    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 canSAR1688812.