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canSAR1973981
FEATURES
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NAMES
    SMILES
    CCC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO
    InChI
    InChI=1S/C22H25N3O4/c1-2-18(27)25-17-12-24-16(9-6-10-19(24)28)21(25)20(15(17)13-26)22(29)23-11-14-7-4-3-5-8-14/h3-10,15,17,20-21,26H,2,11-13H2,1H3,(H,23,29)/t15-,17-,20+,21+/m1/s1
    MOLECULAR FORMULA
    C22H25N3O4
    CROSS REFERENCES
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    canSAR1973981

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.18
    AlogP 1.06
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    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 canSAR1973981.