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canSAR1153319
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NAMES
    SMILES
    CC(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C37H56O3/c1-24(2)26-15-20-37(32(39)40-23-25-11-9-8-10-12-25)22-21-35(6)27(31(26)37)13-14-29-34(5)18-17-30(38)33(3,4)28(34)16-19-36(29,35)7/h8-12,24,26-31,38H,13-23H2,1-7H3/t26-,27+,28-,29+,30-,31+,34-,35+,36+,37-/m0/s1
    MOLECULAR FORMULA
    C37H56O3
    CROSS REFERENCES
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    canSAR1153319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.42
    AlogP 8.83
    HBond donors 1
    HBond acceptors 3
    Atoms 96
    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 canSAR1153319.