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canSAR1522862
FEATURES
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NAMES
    SMILES
    CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C
    InChI
    InChI=1S/C33H42O5/c1-19(2)14-15-31-17-21-16-22-28(3,4)23(30(7,8)38)18-32(22,25(31)35)27(37)33(26(31)36,29(21,5)6)24(34)20-12-10-9-11-13-20/h9-14,21-23,38H,15-18H2,1-8H3/t21-,22-,23+,31+,32-,33+/m1/s1
    MOLECULAR FORMULA
    C33H42O5
    CROSS REFERENCES
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    canSAR1522862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.30
    AlogP 5.79
    HBond donors 1
    HBond acceptors 5
    Atoms 80
    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 canSAR1522862.