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canSAR2048768
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NAMES
    SMILES
    CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CN5CCN(C)CC5)nc4)s3)n[nH]c21
    InChI
    InChI=1S/C23H27N7OS/c1-3-8-30-20(31)7-6-18-21(26-27-22(18)30)19-14-25-23(32-19)16-4-5-17(24-13-16)15-29-11-9-28(2)10-12-29/h4-7,13-14H,3,8-12,15H2,1-2H3,(H,26,27)
    MOLECULAR FORMULA
    C23H27N7OS
    CROSS REFERENCES
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    canSAR2048768

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.20
    AlogP 3.07
    HBond donors 1
    HBond acceptors 8
    Atoms 59
    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 canSAR2048768.