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canSAR786007
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)c2ccccc2)C1=O
    InChI
    InChI=1S/C21H27N7O8/c22-20(23)24-8-4-7-12-18(33)28(21(36)26-12)10-14(29)25-13(9-15(30)31)17(32)27-16(19(34)35)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,25,29)(H,26,36)(H,27,32)(H,30,31)(H,34,35)(H4,22,23,24)/t12-,13-,16-/m0/s1
    MOLECULAR FORMULA
    C21H27N7O8
    CROSS REFERENCES
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    canSAR786007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.19
    AlogP -1.93
    HBond donors 9
    HBond acceptors 15
    Atoms 63
    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 canSAR786007.