canSAR1087673
FEATURES
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NAMES
    SMILES
    C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)C1
    InChI
    InChI=1S/C42H63N5O7Si/c1-28-22-32-16-13-29(2)35(20-19-33-24-34(25-39(49)52-33)54-55(6,7)42(3,4)5)40(32)37(23-28)53-41(50)43-26-30-14-17-31(18-15-30)36-27-47(46-44-36)21-11-9-8-10-12-38(48)45-51/h13-18,22,27-29,33-35,37,40,51H,8-12,19-21,23-26H2,1-7H3,(H,43,50)(H,45,48)/t28-,29-,33+,34+,35-,37-,40-/m0/s1
    MOLECULAR FORMULA
    C42H63N5O7Si
    CROSS REFERENCES
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    canSAR1087673
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight777.45
    AlogP8.28
    HBond donors3
    HBond acceptors12
    Atoms118
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087673.