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canSAR922500
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)N[C@@H](CO)[C@@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
    InChI
    InChI=1S/C33H51NO6/c1-19(9-12-29(39)34-26(18-35)31(40)20-7-5-4-6-8-20)23-10-11-24-30-25(17-28(38)33(23,24)3)32(2)14-13-22(36)15-21(32)16-27(30)37/h4-8,19,21-28,30-31,35-38,40H,9-18H2,1-3H3,(H,34,39)/t19-,21+,22-,23-,24+,25+,26+,27?,28+,30+,31+,32+,33-/m1/s1
    MOLECULAR FORMULA
    C33H51NO6
    CROSS REFERENCES
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    canSAR922500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.37
    AlogP 3.57
    HBond donors 6
    HBond acceptors 7
    Atoms 91
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR922500.