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canSAR829786
FEATURES
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NAMES
    SMILES
    CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C(C)=O)[C@@H]4[C@H](O)C[C@]34[C@@H](OC(C)=O)C[C@H]21
    InChI
    InChI=1S/C29H44O4/c1-7-26(4)12-8-13-27(5)21(26)11-14-28(6)22-10-9-19(17(2)30)25-20(32)16-29(22,25)24(15-23(27)28)33-18(3)31/h9,20-25,32H,7-8,10-16H2,1-6H3/t20-,21+,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1
    MOLECULAR FORMULA
    C29H44O4
    CROSS REFERENCES
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    canSAR829786

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.32
    AlogP 5.86
    HBond donors 1
    HBond acceptors 4
    Atoms 77
    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 canSAR829786.