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canSAR2052755
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NAMES
    SMILES
    COc1cc(OC)c(OC)cc1/C=C1\C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@]23C)C(C)(C)C1=O
    InChI
    InChI=1S/C40H56O6/c1-23-13-16-40(35(42)43)18-17-38(6)27(33(40)24(23)2)11-12-32-37(5)22-26(34(41)36(3,4)31(37)14-15-39(32,38)7)19-25-20-29(45-9)30(46-10)21-28(25)44-8/h11,19-21,23-24,31-33H,12-18,22H2,1-10H3,(H,42,43)/b26-19+/t23-,24+,31+,32-,33+,37+,38-,39-,40+/m1/s1
    MOLECULAR FORMULA
    C40H56O6
    CROSS REFERENCES
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    canSAR2052755

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 632.41
    AlogP 9.02
    HBond donors 1
    HBond acceptors 6
    Atoms 102
    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 canSAR2052755.