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canSAR1202594
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC=C4C=C(O[C@H]5CC[C@H]6[C@@H]7CCc8cc(OC(=O)c9ccccc9)ccc8[C@H]7CC[C@]56C)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C47H58O5/c1-29(48)52-47(5)26-22-41-38-15-12-32-28-34(19-23-44(32,2)40(38)21-25-46(41,47)4)50-42-18-17-39-37-14-11-31-27-33(51-43(49)30-9-7-6-8-10-30)13-16-35(31)36(37)20-24-45(39,42)3/h6-10,12-13,16,27-28,36-42H,11,14-15,17-26H2,1-5H3/t36-,37-,38-,39+,40+,41+,42+,44+,45+,46+,47+/m1/s1
    MOLECULAR FORMULA
    C47H58O5
    CROSS REFERENCES
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    canSAR1202594

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 702.43
    AlogP 10.93
    HBond donors 0
    HBond acceptors 5
    Atoms 110
    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 canSAR1202594.