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canSAR833925
FEATURES
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NAMES
    SMILES
    Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CSCCC(N)C(=O)O)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C14H19ClN6O5S/c15-14-19-10(17)7-11(20-14)21(4-18-7)12-9(23)8(22)6(26-12)3-27-2-1-5(16)13(24)25/h4-6,8-9,12,22-23H,1-3,16H2,(H,24,25)(H2,17,19,20)/t5?,6-,8-,9-,12-/m1/s1
    MOLECULAR FORMULA
    C14H19ClN6O5S
    CROSS REFERENCES
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    canSAR833925

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.08
    AlogP -0.78
    HBond donors 7
    HBond acceptors 11
    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 canSAR833925.