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canSAR1013753
FEATURES
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NAMES
    SMILES
    CC(C)c1ccc(S(=O)(=O)N[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1
    InChI
    InChI=1S/C27H35NO3S/c1-17(2)18-4-8-21(9-5-18)32(30,31)28-26-13-12-25-24-10-6-19-16-20(29)7-11-22(19)23(24)14-15-27(25,26)3/h4-5,7-9,11,16-17,23-26,28-29H,6,10,12-15H2,1-3H3/t23-,24-,25+,26+,27+/m1/s1
    MOLECULAR FORMULA
    C27H35NO3S
    CROSS REFERENCES
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    canSAR1013753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.23
    AlogP 5.72
    HBond donors 2
    HBond acceptors 4
    Atoms 67
    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 canSAR1013753.