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canSAR2048159
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NAMES
    SMILES
    CC[C@@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1
    InChI
    InChI=1S/C24H26N6S/c1-2-19(16-6-4-3-5-7-16)28-21-14-17(8-12-26-21)23-29-20-10-13-31-22(20)24(30-23)27-18-9-11-25-15-18/h3-8,10,12-14,18-19,25H,2,9,11,15H2,1H3,(H,26,28)(H,27,29,30)/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C24H26N6S
    CROSS REFERENCES
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    canSAR2048159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.19
    AlogP 5.09
    HBond donors 3
    HBond acceptors 6
    Atoms 57
    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 canSAR2048159.