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canSAR1068082
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NAMES
    SMILES
    CCCN(CCN1CCN(c2ccc3[nH]ccc3c2)CC1)[C@@H]1CCc2nc(N)sc2C1
    InChI
    InChI=1S/C24H34N6S/c1-2-9-29(20-4-6-22-23(17-20)31-24(25)27-22)13-10-28-11-14-30(15-12-28)19-3-5-21-18(16-19)7-8-26-21/h3,5,7-8,16,20,26H,2,4,6,9-15,17H2,1H3,(H2,25,27)/t20-/m1/s1
    MOLECULAR FORMULA
    C24H34N6S
    CROSS REFERENCES
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    canSAR1068082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.26
    AlogP 3.60
    HBond donors 3
    HBond acceptors 6
    Atoms 65
    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 canSAR1068082.