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canSAR924698
FEATURES
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NAMES
    SMILES
    CO[C@@]12CC[C@H](NCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
    InChI
    InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14+,18-,19-,20+/m0/s1
    MOLECULAR FORMULA
    C20H26N2O5
    CROSS REFERENCES
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    canSAR924698

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.18
    AlogP 0.87
    HBond donors 3
    HBond acceptors 7
    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 canSAR924698.