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canSAR1441775
FEATURES
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NAMES
    SMILES
    CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1
    InChI
    InChI=1S/C28H37N3O2/c1-27(2,29)26(33)30-24(14-8-11-21-9-4-3-5-10-21)25(32)31-19-17-28(18-20-31)16-15-22-12-6-7-13-23(22)28/h3-7,9-10,12-13,24H,8,11,14-20,29H2,1-2H3,(H,30,33)/p+1/t24-/m1/s1
    MOLECULAR FORMULA
    C28H38N3O2+
    CROSS REFERENCES
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    canSAR1441775

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.30
    AlogP 3.02
    HBond donors 4
    HBond acceptors 5
    Atoms 71
    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 canSAR1441775.