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canSAR834887
FEATURES
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NAMES
    SMILES
    CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)CC[C@@H]1C
    InChI
    InChI=1S/C51H79BF2N4O11/c1-9-43(60)38(7)49-44(67-49)29-33(2)13-12-14-34(3)48-35(4)17-20-45(51(8,64)22-21-41(59)32-47(62)69-48)68-50(63)56-24-26-66-28-27-65-25-23-55-46(61)16-11-10-15-39-18-19-40-31-42-36(5)30-37(6)57(42)52(53,54)58(39)40/h12-14,18-19,30-31,33,35,38,41,43-45,48-49,59-60,64H,9-11,15-17,20-29,32H2,1-8H3,(H,55,61)(H,56,63)/b13-12+,34-14+/t33-,35+,38-,41-,43+,44-,45+,48-,49-,51-/m1/s1
    MOLECULAR FORMULA
    C51H79BF2N4O11
    CROSS REFERENCES
    834887 logo

    canSAR834887

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 972.58
    AlogP 6.84
    HBond donors 5
    HBond acceptors 15
    Atoms 148
    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 canSAR834887.