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canSAR830821
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCC(=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@]12OC(C)=O
    InChI
    InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27-,28+,30+,32+,34+,35+,36+/m0/s1
    MOLECULAR FORMULA
    C36H56O8
    CROSS REFERENCES
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    canSAR830821

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.40
    AlogP 5.75
    HBond donors 3
    HBond acceptors 8
    Atoms 100
    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 canSAR830821.