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canSAR832770
FEATURES
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NAMES
    SMILES
    CCC(=O)OC(CC)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C(C)=O)[C@H](C=O)[C@@]12C
    InChI
    InChI=1S/C35H54O6/c1-9-23(40-30(38)10-2)19-31(39)41-29-20-28-33(6)17-12-16-32(5,11-3)26(33)15-18-34(28,7)27-14-13-24(22(4)37)25(21-36)35(27,29)8/h13,21,23,25-29H,9-12,14-20H2,1-8H3/t23?,25-,26-,27-,28+,29-,32-,33-,34-,35+/m0/s1
    MOLECULAR FORMULA
    C35H54O6
    CROSS REFERENCES
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    canSAR832770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.39
    AlogP 7.42
    HBond donors 0
    HBond acceptors 6
    Atoms 95
    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 canSAR832770.