canSAR1226618
FEATURES
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NAMES
    SMILES
    Nc1nc(=O)c2c([nH]1)NCC(CCSc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2
    InChI
    InChI=1S/C20H24N6O6S/c21-20-25-16-15(18(30)26-20)23-11(9-22-16)7-8-33-12-3-1-10(2-4-12)17(29)24-13(19(31)32)5-6-14(27)28/h1-4,11,13,23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,22,25,26,30)/t11?,13-/m0/s1
    MOLECULAR FORMULA
    C20H24N6O6S
    CROSS REFERENCES
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    canSAR1226618
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight476.15
    AlogP0.79
    HBond donors8
    HBond acceptors12
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1226618.