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canSAR92378
FEATURES
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NAMES
    SMILES
    Nc1ccn([C@@H]2O[C@H](COP3(=O)OCCC(c4ccc(Br)cc4)O3)[C@@H](O)[C@@H]2O)c(=O)n1
    InChI
    InChI=1S/C18H21BrN3O8P/c19-11-3-1-10(2-4-11)12-6-8-27-31(26,30-12)28-9-13-15(23)16(24)17(29-13)22-7-5-14(20)21-18(22)25/h1-5,7,12-13,15-17,23-24H,6,8-9H2,(H2,20,21,25)/t12?,13-,15-,16+,17-,31?/m1/s1
    MOLECULAR FORMULA
    C18H21BrN3O8P
    CROSS REFERENCES
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    canSAR92378

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.02
    AlogP 1.51
    HBond donors 4
    HBond acceptors 11
    Atoms 52
    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 canSAR92378.