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canSAR1714987
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](NC(=O)c3ccc4ccccc4c3)[C@@H](CO)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C21H21N3O5/c1-12-10-24(21(28)23-19(12)26)18-9-16(17(11-25)29-18)22-20(27)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,10,16-18,25H,9,11H2,1H3,(H,22,27)(H,23,26,28)/t16-,17+,18+/m0/s1
    MOLECULAR FORMULA
    C21H21N3O5
    CROSS REFERENCES
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    canSAR1714987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.15
    AlogP 1.08
    HBond donors 3
    HBond acceptors 8
    Atoms 50
    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 canSAR1714987.