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canSAR779810
FEATURES
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NAMES
    SMILES
    C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C
    InChI
    InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,33+,34-,35+,36-/m1/s1
    MOLECULAR FORMULA
    C36H56O9
    CROSS REFERENCES
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    canSAR779810

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 632.39
    AlogP 5.01
    HBond donors 5
    HBond acceptors 9
    Atoms 101
    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 canSAR779810.