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canSAR1017806
FEATURES
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NAMES
    SMILES
    Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
    InChI
    InChI=1S/C21H27N7O8S/c1-12-4-2-3-5-16(12)37(35,36)28-21(34)27-14(9-17(22)29)19(31)24-7-6-18(30)26-15(20(32)33)8-13-10-23-11-25-13/h2-5,10-11,14-15H,6-9H2,1H3,(H2,22,29)(H,23,25)(H,24,31)(H,26,30)(H,32,33)(H2,27,28,34)/t14-,15-/m0/s1
    MOLECULAR FORMULA
    C21H27N7O8S
    CROSS REFERENCES
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    canSAR1017806

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.16
    AlogP -1.73
    HBond donors 8
    HBond acceptors 15
    Atoms 64
    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 canSAR1017806.