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canSAR112959
FEATURES
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NAMES
    SMILES
    CC(C)N(C(=O)C(c1cccnc1)C(CC(=O)NCC1CN(c2ccccc2)CCO1)c1ccccc1)C(C)C
    InChI
    InChI=1S/C33H42N4O3/c1-24(2)37(25(3)4)33(39)32(27-14-11-17-34-21-27)30(26-12-7-5-8-13-26)20-31(38)35-22-29-23-36(18-19-40-29)28-15-9-6-10-16-28/h5-17,21,24-25,29-30,32H,18-20,22-23H2,1-4H3,(H,35,38)
    MOLECULAR FORMULA
    C33H42N4O3
    CROSS REFERENCES
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    canSAR112959

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.33
    AlogP 5.01
    HBond donors 1
    HBond acceptors 7
    Atoms 82
    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 canSAR112959.