canSAR2099772
FEATURES
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NAMES
    SMILES
    CCCCCCCCCO[C@@H]1[C@@H](CN)O[C@H](OC[C@H](O)CN=[N+]=[N-])[C@H](N)[C@H]1OCCCCCCCCC
    InChI
    InChI=1S/C27H55N5O5/c1-3-5-7-9-11-13-15-17-34-25-23(19-28)37-27(36-21-22(33)20-31-32-30)24(29)26(25)35-18-16-14-12-10-8-6-4-2/h22-27,33H,3-21,28-29H2,1-2H3/t22-,23-,24-,25-,26-,27+/m1/s1
    MOLECULAR FORMULA
    C27H55N5O5
    CROSS REFERENCES
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    canSAR2099772
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight529.42
    AlogP4.96
    HBond donors5
    HBond acceptors10
    Atoms92
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099772.