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canSAR1155040
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NAMES
    SMILES
    COc1cccc2[nH]c3c([C@H]4[C@H](C(C)(C)O)CC[C@]4(C)O)nccc3c12
    InChI
    InChI=1S/C21H26N2O3/c1-20(2,24)13-8-10-21(3,25)17(13)19-18-12(9-11-22-19)16-14(23-18)6-5-7-15(16)26-4/h5-7,9,11,13,17,23-25H,8,10H2,1-4H3/t13-,17-,21+/m1/s1
    MOLECULAR FORMULA
    C21H26N2O3
    CROSS REFERENCES
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    canSAR1155040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 354.19
    AlogP 3.74
    HBond donors 3
    HBond acceptors 5
    Atoms 52
    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 canSAR1155040.