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canSAR1061970
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C18H19BrN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
    MOLECULAR FORMULA
    C18H19BrN6O4
    CROSS REFERENCES
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    canSAR1061970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.07
    AlogP 0.57
    HBond donors 4
    HBond acceptors 10
    Atoms 48
    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 canSAR1061970.