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canSAR1013124
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccccc1F
    InChI
    InChI=1S/C28H35FO2/c1-27-15-13-20(30)17-19(27)8-9-21-22-10-11-24(28(22,2)16-14-23(21)27)26(31)12-7-18-5-3-4-6-25(18)29/h3-8,12,20-24,30H,9-11,13-17H2,1-2H3/b12-7+/t20-,21-,22-,23-,24+,27-,28-/m0/s1
    MOLECULAR FORMULA
    C28H35FO2
    CROSS REFERENCES
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    canSAR1013124

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.26
    AlogP 6.35
    HBond donors 1
    HBond acceptors 2
    Atoms 66
    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 canSAR1013124.