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canSAR1141248
FEATURES
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NAMES
    SMILES
    CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)n4cc(C(=O)NCCN(C)C)nn4)O3)O[C@@H](CC1)[C@H]2C
    InChI
    InChI=1S/C52H85N5O11/c1-14-39-19-17-15-16-18-32(4)48(62)51(11,65)49(63)37(9)46(61)36(8)45(60)35(7)44(59)31(3)20-23-43(58)66-47-34(6)41(22-21-39)67-52(38(47)10)25-24-30(2)42(68-52)28-33(5)57-29-40(54-55-57)50(64)53-26-27-56(12)13/h15-17,19-20,23,29-39,41-42,44,46-48,59,61-62,65H,14,18,21-22,24-28H2,1-13H3,(H,53,64)/b16-15+,19-17+,23-20+/t30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,41-,42-,44+,46+,47+,48-,51+,52-/m0/s1
    MOLECULAR FORMULA
    C52H85N5O11
    CROSS REFERENCES
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    canSAR1141248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 955.62
    AlogP 5.65
    HBond donors 5
    HBond acceptors 16
    Atoms 153
    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 canSAR1141248.