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canSAR1769533
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NAMES
    SMILES
    CCCCN(CCCC)C(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1O
    InChI
    InChI=1S/C20H29N5OS/c1-4-6-13-24(14-7-5-2)20(27)22-21-15-18-16(3)23-25(19(18)26)17-11-9-8-10-12-17/h8-12,15,26H,4-7,13-14H2,1-3H3,(H,22,27)/b21-15+
    MOLECULAR FORMULA
    C20H29N5OS
    CROSS REFERENCES
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    canSAR1769533

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.21
    AlogP 4.00
    HBond donors 2
    HBond acceptors 6
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1769533.