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canSAR503149
FEATURES
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NAMES
    SMILES
    CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCC(N)=O)C1=O)C2
    InChI
    InChI=1S/C29H40N4O5S/c1-27(2)20-10-12-29(27,23(17-20)33-25(35)22(31-26(33)36)7-8-24(30)34)18-39(37,38)32-15-13-28(14-16-32)11-9-19-5-3-4-6-21(19)28/h3-6,20,22-23H,7-18H2,1-2H3,(H2,30,34)(H,31,36)/t20-,22?,23+,29-/m1/s1
    MOLECULAR FORMULA
    C29H40N4O5S
    CROSS REFERENCES
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    canSAR503149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.27
    AlogP 2.68
    HBond donors 3
    HBond acceptors 9
    Atoms 79
    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 canSAR503149.