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canSAR1828192
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@]12OC[C@]34C([C@@H](O)[C@H]1O)[C@@]1(C)CC(=O)C(OC(=O)/C=C(/c5ccccc5)C(F)(F)F)=C(C)C1C[C@H]3OC(=O)[C@H](O)[C@@H]24
    InChI
    InChI=1S/C31H31F3O11/c1-13-15-9-18-29-12-43-30(27(41)42-3,24(29)21(38)26(40)44-18)25(39)20(37)23(29)28(15,2)11-17(35)22(13)45-19(36)10-16(31(32,33)34)14-7-5-4-6-8-14/h4-8,10,15,18,20-21,23-25,37-39H,9,11-12H2,1-3H3/b16-10-/t15?,18-,20-,21-,23?,24-,25-,28+,29-,30+/m1/s1
    MOLECULAR FORMULA
    C31H31F3O11
    CROSS REFERENCES
    1828192 logo

    canSAR1828192

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.18
    AlogP 1.63
    HBond donors 3
    HBond acceptors 11
    Atoms 76
    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 canSAR1828192.