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canSAR1063860
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Nc3cccc(Cl)c3)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C17H19ClN4O5/c1-9-8-22(17(26)21-15(9)24)14-6-12(23)13(27-14)7-19-16(25)20-11-4-2-3-10(18)5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,25)(H,21,24,26)/t12-,13+,14+/m0/s1
    MOLECULAR FORMULA
    C17H19ClN4O5
    CROSS REFERENCES
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    canSAR1063860

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.10
    AlogP 0.97
    HBond donors 4
    HBond acceptors 9
    Atoms 46
    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 canSAR1063860.