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canSAR1094074
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)OCCc1ccccc1)C(=O)N[C@H](C=O)CC1CCNC1=O
    InChI
    InChI=1S/C22H31N3O5/c1-15(2)12-19(25-22(29)30-11-9-16-6-4-3-5-7-16)21(28)24-18(14-26)13-17-8-10-23-20(17)27/h3-7,14-15,17-19H,8-13H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17?,18-,19-/m0/s1
    MOLECULAR FORMULA
    C22H31N3O5
    CROSS REFERENCES
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    canSAR1094074

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.23
    AlogP 1.58
    HBond donors 3
    HBond acceptors 8
    Atoms 61
    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 canSAR1094074.