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canSAR1265562
FEATURES
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NAMES
    SMILES
    CCC(C)CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)OC2O)C1(C)C
    InChI
    InChI=1S/C41H68O7/c1-8-25(2)13-11-9-10-12-14-33(44)47-32-17-18-37(5)29-16-19-40-23-41(40,39(29,7)31(43)22-30(37)36(32,3)4)20-15-27(40)26-21-28(46-35(26)45)34-38(6,24-42)48-34/h25-32,34-35,42-43,45H,8-24H2,1-7H3/t25?,26-,27-,28+,29+,30-,31+,32+,34-,35?,37+,38+,39-,40+,41+/m0/s1
    MOLECULAR FORMULA
    C41H68O7
    CROSS REFERENCES
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    canSAR1265562

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.50
    AlogP 7.57
    HBond donors 3
    HBond acceptors 7
    Atoms 116
    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 canSAR1265562.