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canSAR1026177
FEATURES
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NAMES
    SMILES
    CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1
    InChI
    InChI=1S/C28H40O5/c1-15-12-22(33-25(32)16(15)2)17(3)19-6-7-20-18-13-24(31)28(14-29)11-9-23(30)27(28,5)21(18)8-10-26(19,20)4/h14,17-22,24,31H,6-13H2,1-5H3/t17-,18-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1
    MOLECULAR FORMULA
    C28H40O5
    CROSS REFERENCES
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    canSAR1026177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.29
    AlogP 4.65
    HBond donors 1
    HBond acceptors 5
    Atoms 73
    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 canSAR1026177.