canSAR857255
FEATURES
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NAMES
    SMILES
    Br.CCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccc(Cl)cc1
    InChI
    InChI=1S/C21H28ClN4O9P.BrH/c1-4-32-18(28)12(2)25-36(31,35-14-7-5-13(22)6-8-14)33-11-15-17(27)21(3,30)19(34-15)26-10-9-16(23)24-20(26)29;/h5-10,12,15,17,19,27,30H,4,11H2,1-3H3,(H,25,31)(H2,23,24,29);1H/t12-,15+,17+,19+,21+,36?;/m0./s1
    MOLECULAR FORMULA
    C21H29BrClN4O9P
    CROSS REFERENCES
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    canSAR857255
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight626.05
    AlogP1.81
    HBond donors5
    HBond acceptors13
    Atoms66
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857255.