canSAR857129
FEATURES
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NAMES
    SMILES
    C=C1CC[C@H](OC(=O)NCCN(CCN)CCN)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C
    InChI
    InChI=1S/C34H60N4O2/c1-25(2)8-6-9-27(4)31-15-16-32-28(10-7-17-34(31,32)5)12-13-29-24-30(14-11-26(29)3)40-33(39)37-20-23-38(21-18-35)22-19-36/h12-13,25,27,30-32H,3,6-11,14-24,35-36H2,1-2,4-5H3,(H,37,39)/b28-12+,29-13-/t27-,30+,31-,32+,34-/m1/s1
    MOLECULAR FORMULA
    C34H60N4O2
    CROSS REFERENCES
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    canSAR857129
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight556.47
    AlogP6.57
    HBond donors5
    HBond acceptors6
    Atoms100
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857129.