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canSAR1205542
FEATURES
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NAMES
    SMILES
    C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(=O)/C=C/c1ccc(F)cc1)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O
    InChI
    InChI=1S/C31H35FO8/c1-16-20-10-11-21-29-15-38-31(37,26(36)24(29)28(3,4)14-13-22(29)39-17(2)33)30(21,25(16)35)27(20)40-23(34)12-7-18-5-8-19(32)9-6-18/h5-9,12,20-22,24,26-27,36-37H,1,10-11,13-15H2,2-4H3/b12-7+/t20-,21-,22-,24+,26-,27+,29+,30-,31+/m0/s1
    MOLECULAR FORMULA
    C31H35FO8
    CROSS REFERENCES
    1205542 logo

    canSAR1205542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.23
    AlogP 3.35
    HBond donors 2
    HBond acceptors 8
    Atoms 75
    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 canSAR1205542.