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canSAR199246
FEATURES
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NAMES
    SMILES
    O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/OCc3ccccc3)[C@H]2C1
    InChI
    InChI=1S/C21H27NO4/c23-20-12-17-10-16(8-4-5-9-21(24)25)11-18(17)19(20)13-22-26-14-15-6-2-1-3-7-15/h1-3,6-8,13,17-20,23H,4-5,9-12,14H2,(H,24,25)/b16-8+,22-13+/t17-,18-,19+,20+/m0/s1
    MOLECULAR FORMULA
    C21H27NO4
    CROSS REFERENCES
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    canSAR199246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 357.19
    AlogP 3.78
    HBond donors 2
    HBond acceptors 5
    Atoms 53
    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 canSAR199246.