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canSAR781924
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NAMES
    SMILES
    CC(C)[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O
    InChI
    InChI=1S/C32H51N3O6S/c1-21(2)29-28(15-16-42(29,39)40)41-31(38)33-25(17-22-11-7-6-8-12-22)27(36)20-35-19-24-14-10-9-13-23(24)18-26(35)30(37)34-32(3,4)5/h6-8,11-12,21,23-29,36H,9-10,13-20H2,1-5H3,(H,33,38)(H,34,37)/t23-,24+,25-,26-,27+,28-,29-/m0/s1
    MOLECULAR FORMULA
    C32H51N3O6S
    CROSS REFERENCES
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    canSAR781924

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.35
    AlogP 3.69
    HBond donors 3
    HBond acceptors 9
    Atoms 93
    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 canSAR781924.