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canSAR830012
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NAMES
    SMILES
    Nn1c(SCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2
    InChI
    InChI=1S/C24H30N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,25H2
    MOLECULAR FORMULA
    C24H30N6OS
    CROSS REFERENCES
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    canSAR830012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.22
    AlogP 2.69
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    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 canSAR830012.