canSAR739516
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)O
    InChI
    InChI=1S/C44H55N5O8/c1-7-27-24-44(27,42(54)55)49-39(51)32-21-29(57-35-23-33(25-14-10-8-11-15-25)46-34-22-28(56-6)18-19-30(34)35)20-31(32)38(50)48-37(43(2,3)4)41(53)47-36(40(52)45-5)26-16-12-9-13-17-26/h7-8,10-11,14-15,18-19,22-23,26-27,29,31-32,36-37H,1,9,12-13,16-17,20-21,24H2,2-6H3,(H,45,52)(H,47,53)(H,48,50)(H,49,51)(H,54,55)/t27-,29+,31-,32-,36+,37-,44-/m1/s1
    MOLECULAR FORMULA
    C44H55N5O8
    CROSS REFERENCES
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    canSAR739516
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight781.41
    AlogP5.17
    HBond donors5
    HBond acceptors13
    Atoms112
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR739516.