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canSAR992997
FEATURES
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NAMES
    SMILES
    C=CC(=O)OC[C@H](C)C(=C)C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C
    InChI
    InChI=1S/C37H50O8/c1-10-30(41)43-18-20(2)21(3)32(42)33(45-25(7)39)23(5)31-28(44-24(6)38)17-35(9)29-12-11-26-22(4)27(40)13-14-36(26)19-37(29,36)16-15-34(31,35)8/h10,13-14,20,22-23,26,28-29,31,33H,1,3,11-12,15-19H2,2,4-9H3/t20-,22-,23-,26-,28-,29-,31-,33+,34+,35-,36+,37-/m0/s1
    MOLECULAR FORMULA
    C37H50O8
    CROSS REFERENCES
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    canSAR992997

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.35
    AlogP 5.98
    HBond donors 0
    HBond acceptors 8
    Atoms 95
    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 canSAR992997.