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canSAR1068882
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NAMES
    SMILES
    Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccc(C#N)cc2)n1
    InChI
    InChI=1S/C23H29N7OS/c1-17-12-22(30(26-17)19-4-2-18(14-24)3-5-19)28-8-6-27(7-9-28)20-13-21(25-15-20)23(31)29-10-11-32-16-29/h2-5,12,20-21,25H,6-11,13,15-16H2,1H3/t20-,21-/m0/s1
    MOLECULAR FORMULA
    C23H29N7OS
    CROSS REFERENCES
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    canSAR1068882

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.22
    AlogP 1.44
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR1068882.