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canSAR1829158
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NAMES
    SMILES
    C[C@@H](Nc1nc(Nc2ccc(S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br)C(C)(C)O
    InChI
    InChI=1S/C22H34BrN5O5S2Si/c1-16(22(2,3)30)25-20-19(23)15-24-21(27-20)26-17-7-9-18(10-8-17)34(31,12-11-29)28-35(32,33)13-14-36(4,5)6/h7-11,15-16,30H,12-14H2,1-6H3,(H2,24,25,26,27)/t16-,34?/m1/s1
    MOLECULAR FORMULA
    C22H34BrN5O5S2Si
    CROSS REFERENCES
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    canSAR1829158

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 619.10
    AlogP 4.25
    HBond donors 3
    HBond acceptors 10
    Atoms 70
    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 canSAR1829158.