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canSAR2048971
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccc(F)c(F)c4F)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O
    InChI
    InChI=1S/C39H55F3N4O2/c1-26(2)12-9-13-27(3)14-10-15-28(4)16-11-17-33-38(7)22-21-34(37(5,6)32(38)20-23-39(33,8)47)44-48-25-29-24-46(45-43-29)31-19-18-30(40)35(41)36(31)42/h12,14,16,18-19,24,32-33,47H,9-11,13,15,17,20-23,25H2,1-8H3/b27-14+,28-16+,44-34+/t32-,33+,38-,39+/m0/s1
    MOLECULAR FORMULA
    C39H55F3N4O2
    CROSS REFERENCES
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    canSAR2048971

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.43
    AlogP 10.36
    HBond donors 1
    HBond acceptors 6
    Atoms 103
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048971.