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canSAR828641
FEATURES
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NAMES
    SMILES
    CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C(=O)O)C[C@H](O)[C@@H]3CC[C@]21C
    InChI
    InChI=1S/C29H46O4/c1-25(2)21-10-14-29(6)22(27(21,4)12-11-23(25)31)8-7-19-18-15-26(3,24(32)33)16-20(30)17(18)9-13-28(19,29)5/h7,17-18,20-23,30-31H,8-16H2,1-6H3,(H,32,33)/t17-,18-,20+,21+,22-,23+,26-,27+,28-,29-/m1/s1
    MOLECULAR FORMULA
    C29H46O4
    CROSS REFERENCES
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    canSAR828641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.34
    AlogP 5.81
    HBond donors 3
    HBond acceptors 4
    Atoms 79
    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 canSAR828641.