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canSAR1067785
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NAMES
    SMILES
    CCCN(CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCc2nc(N)sc2C1
    InChI
    InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)
    MOLECULAR FORMULA
    C25H34N6OS
    CROSS REFERENCES
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    canSAR1067785

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.25
    AlogP 3.23
    HBond donors 3
    HBond acceptors 7
    Atoms 67
    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 canSAR1067785.