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canSAR1523422
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(=O)O
    InChI
    InChI=1S/C28H44O6/c1-16(6-9-25(31)32)21-7-8-22-26-23(11-13-28(21,22)5)27(4)12-10-20(33-17(2)29)14-19(27)15-24(26)34-18(3)30/h16,19-24,26H,6-15H2,1-5H3,(H,31,32)/t16-,19+,20-,21-,22+,23+,24-,26+,27+,28-/m1/s1
    MOLECULAR FORMULA
    C28H44O6
    CROSS REFERENCES
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    canSAR1523422

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.31
    AlogP 5.62
    HBond donors 1
    HBond acceptors 6
    Atoms 78
    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 canSAR1523422.