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canSAR390383
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NAMES
    SMILES
    CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1
    InChI
    InChI=1S/C27H33N3O3/c1-18(2)14-22(26(32)28-3)17-25(31)24(15-19-8-5-4-6-9-19)30-27(33)21-11-12-23-20(16-21)10-7-13-29-23/h4-13,16,18,22,24-25,31H,14-15,17H2,1-3H3,(H,28,32)(H,30,33)/t22-,24+,25+/m1/s1
    MOLECULAR FORMULA
    C27H33N3O3
    CROSS REFERENCES
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    canSAR390383

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.25
    AlogP 3.74
    HBond donors 3
    HBond acceptors 6
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR390383.