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canSAR1149867
FEATURES
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NAMES
    SMILES
    COC(=O)CC[C@@]1(C)[C@H](C(C)CO)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H](C(C)C)CC[C@]3(C(=O)O)CC[C@]12C
    InChI
    InChI=1S/C31H52O5/c1-19(2)21-10-15-31(27(34)35)17-16-29(5)23(26(21)31)8-9-24-28(4,13-12-25(33)36-7)22(20(3)18-32)11-14-30(24,29)6/h19-24,26,32H,8-18H2,1-7H3,(H,34,35)/t20?,21-,22-,23+,24+,26+,28-,29+,30+,31-/m0/s1
    MOLECULAR FORMULA
    C31H52O5
    CROSS REFERENCES
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    canSAR1149867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.38
    AlogP 6.57
    HBond donors 2
    HBond acceptors 5
    Atoms 88
    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 canSAR1149867.