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canSAR839341
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NAMES
    SMILES
    CC(C)[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5ccc(O)cc45)C(=O)C1)[C@H]32
    InChI
    InChI=1S/C21H26N2O2/c1-11(2)21-7-3-4-13-16(22)9-15-14-8-12(24)5-6-17(14)23(18(25)10-21)20(15)19(13)21/h5-6,8,11,13,16,19,24H,3-4,7,9-10,22H2,1-2H3/t13-,16+,19-,21+/m0/s1
    MOLECULAR FORMULA
    C21H26N2O2
    CROSS REFERENCES
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    canSAR839341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.20
    AlogP 3.80
    HBond donors 3
    HBond acceptors 4
    Atoms 51
    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 canSAR839341.