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canSAR1086869
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NAMES
    SMILES
    CCCCP(=O)(O)C1=CC[C@H](NC(=O)CCCCCNC(=O)CCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)C1
    InChI
    InChI=1S/C31H46BF2N4O4P/c1-6-7-17-43(41,42)26-13-12-25(20-26)36-29(40)11-9-8-10-16-35-28(39)15-14-27-30-21(2)18-23(4)37(30)32(33,34)38-24(5)19-22(3)31(27)38/h13,18-19,25H,6-12,14-17,20H2,1-5H3,(H,35,39)(H,36,40)(H,41,42)/t25-/m0/s1
    MOLECULAR FORMULA
    C31H46BF2N4O4P
    CROSS REFERENCES
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    canSAR1086869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.33
    AlogP 6.18
    HBond donors 3
    HBond acceptors 8
    Atoms 89
    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 canSAR1086869.