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canSAR1596978
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NAMES
    SMILES
    CCc1ccccc1NC(=O)C1CCCN(c2nnc(-n3c(C)ccc3C)s2)C1
    InChI
    InChI=1S/C22H27N5OS/c1-4-17-8-5-6-10-19(17)23-20(28)18-9-7-13-26(14-18)21-24-25-22(29-21)27-15(2)11-12-16(27)3/h5-6,8,10-12,18H,4,7,9,13-14H2,1-3H3,(H,23,28)
    MOLECULAR FORMULA
    C22H27N5OS
    CROSS REFERENCES
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    canSAR1596978

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.19
    AlogP 4.36
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    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 canSAR1596978.