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canSAR65351
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(=O)NCCN1CCOCC1
    InChI
    InChI=1S/C39H59N11O7S/c1-39(2,3)57-38(55)45-31(21-28-12-8-5-9-13-28)35(53)44-32(22-29-23-40-26-42-29)36(54)43-30(20-27-10-6-4-7-11-27)33(51)25-58-37-46-47-48-50(37)24-34(52)41-14-15-49-16-18-56-19-17-49/h5,8-9,12-13,23,26-27,30-33,51H,4,6-7,10-11,14-22,24-25H2,1-3H3,(H,40,42)(H,41,52)(H,43,54)(H,44,53)(H,45,55)/t30-,31-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C39H59N11O7S
    CROSS REFERENCES
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    canSAR65351

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 825.43
    AlogP 1.62
    HBond donors 6
    HBond acceptors 18
    Atoms 117
    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 canSAR65351.