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canSAR1125344
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NAMES
    SMILES
    C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)NC(=O)Nc4nccs4)[C@@H]2CC[C@H]1C3
    InChI
    InChI=1S/C23H33N3OS/c1-15-13-23-10-7-17-21(2,18(23)6-5-16(15)14-23)8-4-9-22(17,3)26-19(27)25-20-24-11-12-28-20/h11-12,16-18H,1,4-10,13-14H2,2-3H3,(H2,24,25,26,27)/t16-,17-,18-,21+,22+,23+/m0/s1
    MOLECULAR FORMULA
    C23H33N3OS
    CROSS REFERENCES
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    canSAR1125344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.23
    AlogP 5.99
    HBond donors 2
    HBond acceptors 4
    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 canSAR1125344.