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canSAR913963
FEATURES
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NAMES
    SMILES
    NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)CC(=O)NC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)n1
    InChI
    InChI=1S/C21H27N8O11PS/c22-17-11-19(26-5-25-17)29(6-27-11)21-15(34)12(31)8(40-21)1-24-10(30)3-41(36,37)38-2-9-13(32)14(33)16(39-9)20-28-7(4-42-20)18(23)35/h4-6,8-9,12-16,21,31-34H,1-3H2,(H2,23,35)(H,24,30)(H,36,37)(H2,22,25,26)/t8-,9+,12-,13+,14+,15-,16+,21-/m0/s1
    MOLECULAR FORMULA
    C21H27N8O11PS
    CROSS REFERENCES
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    canSAR913963

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.13
    AlogP -3.24
    HBond donors 10
    HBond acceptors 19
    Atoms 69
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR913963.