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canSAR985935
FEATURES
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NAMES
    SMILES
    COC(C)(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
    InChI
    InChI=1S/C31H52O4/c1-19(10-14-25(33)28(4,5)35-9)20-16-17-29(6)23-13-11-21-22(12-15-24(32)27(21,2)3)31(23,8)26(34)18-30(20,29)7/h11,19-20,22-25,32-33H,10,12-18H2,1-9H3/t19-,20-,22-,23+,24+,25-,29+,30-,31+/m1/s1
    MOLECULAR FORMULA
    C31H52O4
    CROSS REFERENCES
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    canSAR985935

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.39
    AlogP 6.33
    HBond donors 2
    HBond acceptors 4
    Atoms 87
    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 canSAR985935.