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canSAR2092355
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NAMES
    SMILES
    CN(C)[C@@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1
    InChI
    InChI=1S/C25H33N5S/c1-28(2)21-9-6-12-29(16-21)15-19-10-13-30(14-11-19)24-23-22(20-7-4-3-5-8-20)17-31-25(23)27-18-26-24/h3-5,7-8,17-19,21H,6,9-16H2,1-2H3/t21-/m1/s1
    MOLECULAR FORMULA
    C25H33N5S
    CROSS REFERENCES
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    canSAR2092355

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.25
    AlogP 4.60
    HBond donors 0
    HBond acceptors 5
    Atoms 64
    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 canSAR2092355.