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canSAR55853
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NAMES
    SMILES
    COC(=O)[C@]1(C)Nc2c(OP(=O)(O)O)cc3c(c2C1=O)C[C@H](Br)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1
    InChI
    InChI=1S/C26H27BrN3O11P/c1-26(25(33)40-5)23(31)18-13-8-12(27)10-30(15(13)9-16(20(18)29-26)41-42(34,35)36)24(32)14-6-11-7-17(37-2)21(38-3)22(39-4)19(11)28-14/h6-7,9,12,28-29H,8,10H2,1-5H3,(H2,34,35,36)/t12-,26+/m0/s1
    MOLECULAR FORMULA
    C26H27BrN3O11P
    CROSS REFERENCES
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    canSAR55853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 667.06
    AlogP 3.17
    HBond donors 4
    HBond acceptors 14
    Atoms 69
    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 canSAR55853.