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canSAR777698
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NAMES
    SMILES
    CC[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/C31H49N3O6S/c1-5-28-27(15-16-41(28,38)39)40-30(37)32-24(17-21-11-7-6-8-12-21)26(35)20-34-19-23-14-10-9-13-22(23)18-25(34)29(36)33-31(2,3)4/h6-8,11-12,22-28,35H,5,9-10,13-20H2,1-4H3,(H,32,37)(H,33,36)/t22-,23+,24-,25-,26+,27-,28-/m0/s1
    MOLECULAR FORMULA
    C31H49N3O6S
    CROSS REFERENCES
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    canSAR777698

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.33
    AlogP 3.45
    HBond donors 3
    HBond acceptors 9
    Atoms 90
    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 canSAR777698.