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canSAR848047
FEATURES
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NAMES
    SMILES
    C=C(C[C@H](O)[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)O
    InChI
    InChI=1S/C28H46O5/c1-16(25(2,3)32)15-23(30)28(6,33)22-10-9-18-17-7-8-20-24(31)21(29)12-14-26(20,4)19(17)11-13-27(18,22)5/h8,17-19,21-24,29-33H,1,7,9-15H2,2-6H3/t17-,18-,19-,21-,22-,23-,24+,26+,27-,28-/m0/s1
    MOLECULAR FORMULA
    C28H46O5
    CROSS REFERENCES
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    canSAR848047

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.33
    AlogP 3.73
    HBond donors 5
    HBond acceptors 5
    Atoms 79
    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 canSAR848047.