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canSAR2051263
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@]2(CCc3c(c(C)nc4ccccc34)O2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1
    InChI
    InChI=1S/C38H51N5O8S/c1-10-23-19-38(23,32(46)42-52(48,49)36(9)17-18-36)41-30(44)27-20-37(16-15-25-24-13-11-12-14-26(24)39-22(2)28(25)50-37)21-43(27)31(45)29(34(3,4)5)40-33(47)51-35(6,7)8/h10-14,23,27,29H,1,15-21H2,2-9H3,(H,40,47)(H,41,44)(H,42,46)/t23-,27+,29-,37-,38-/m1/s1
    MOLECULAR FORMULA
    C38H51N5O8S
    CROSS REFERENCES
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    canSAR2051263

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 737.35
    AlogP 4.21
    HBond donors 3
    HBond acceptors 13
    Atoms 103
    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 canSAR2051263.