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canSAR1714556
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NAMES
    SMILES
    CN1CCN(C(=O)N2Cc3c(NC(=O)c4cccs4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1
    InChI
    InChI=1S/C25H30N6O2S/c1-25(2)21-19(22(28-27-21)26-23(32)20-10-7-13-34-20)16-31(25)24(33)30-12-11-29(3)15-18(30)14-17-8-5-4-6-9-17/h4-10,13,18H,11-12,14-16H2,1-3H3,(H2,26,27,28,32)/t18-/m0/s1
    MOLECULAR FORMULA
    C25H30N6O2S
    CROSS REFERENCES
    1714556 logo

    canSAR1714556

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.22
    AlogP 3.75
    HBond donors 2
    HBond acceptors 8
    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 canSAR1714556.