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canSAR1434717
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12O
    InChI
    InChI=1S/C30H46O7/c1-6-7-8-9-10-11-12-13-23(32)37-26-19(3)29(35)21(24-27(4,5)30(24,26)36)15-20(17-31)16-28(34)22(29)14-18(2)25(28)33/h14-15,19,21-22,24,26,31,34-36H,6-13,16-17H2,1-5H3/t19-,21+,22-,24-,26-,28-,29-,30-/m1/s1
    MOLECULAR FORMULA
    C30H46O7
    CROSS REFERENCES
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    canSAR1434717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.32
    AlogP 3.62
    HBond donors 4
    HBond acceptors 7
    Atoms 83
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1434717.