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canSAR1154967
FEATURES
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NAMES
    SMILES
    COP(=S)(NNC(=S)N[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1
    InChI
    InChI=1S/C22H30N3O10PS2/c1-12(26)31-11-17-18(32-13(2)27)19(33-14(3)28)20(34-15(4)29)21(35-17)23-22(37)24-25-36(38,30-5)16-9-7-6-8-10-16/h6-10,17-21H,11H2,1-5H3,(H,25,38)(H2,23,24,37)/t17-,18-,19+,20-,21-,36?/m1/s1
    MOLECULAR FORMULA
    C22H30N3O10PS2
    CROSS REFERENCES
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    canSAR1154967

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.11
    AlogP 0.32
    HBond donors 3
    HBond acceptors 13
    Atoms 68
    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 canSAR1154967.