canSAR2096473
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)c(-c5cccs5)c4)ccc3c2[nH]1)C(C)C
    InChI
    InChI=1S/C47H56N8O6SSi/c1-26(2)39(52-46(58)60-5)44(56)54-19-9-11-36(54)43-49-34-18-15-30-21-28(13-16-31(30)41(34)51-43)29-14-17-32(33(22-29)38-12-10-20-62-38)35-23-48-42(50-35)37-24-63(7,8)25-55(37)45(57)40(27(3)4)53-47(59)61-6/h10,12-18,20-23,26-27,36-37,39-40H,9,11,19,24-25H2,1-8H3,(H,48,50)(H,49,51)(H,52,58)(H,53,59)/t36-,37-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C47H56N8O6SSi
    CROSS REFERENCES
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    canSAR2096473
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight888.38
    AlogP9.06
    HBond donors4
    HBond acceptors14
    Atoms119
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096473.