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canSAR985356
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NAMES
    SMILES
    C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccccc2Br)=NO3)[C@]2(C)C(=O)C=C[C@@]12O
    InChI
    InChI=1S/C22H22BrNO5/c1-12-7-8-14-18(20(2)17(25)9-10-22(12,20)27)28-19(26)21(14)11-16(24-29-21)13-5-3-4-6-15(13)23/h3-6,9-10,12,14,18,27H,7-8,11H2,1-2H3/t12-,14+,18+,20-,21-,22+/m0/s1
    MOLECULAR FORMULA
    C22H22BrNO5
    CROSS REFERENCES
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    canSAR985356

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.07
    AlogP 3.16
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    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 canSAR985356.