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canSAR829317
FEATURES
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NAMES
    SMILES
    CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H](C(O)CCc5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@H]12
    InChI
    InChI=1S/C30H46O2/c1-28(2)26-15-13-23-24(30(26,4)19-17-27(28)32)12-11-22-21(16-18-29(22,23)3)25(31)14-10-20-8-6-5-7-9-20/h5-9,21-27,31-32H,10-19H2,1-4H3/t21-,22+,23+,24-,25?,26-,27-,29+,30+/m0/s1
    MOLECULAR FORMULA
    C30H46O2
    CROSS REFERENCES
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    canSAR829317

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.35
    AlogP 6.64
    HBond donors 2
    HBond acceptors 2
    Atoms 78
    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 canSAR829317.