canSAR1746497
FEATURES
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NAMES
    SMILES
    CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)C(C(=O)NCCC(C)C)c1cccnc1)OCO2
    InChI
    InChI=1S/C29H30N6O5/c1-18(2)10-12-31-29(38)28(20-7-6-11-30-15-20)35(24-14-26-25(39-17-40-26)13-21(24)19(3)36)27(37)16-34-23-9-5-4-8-22(23)32-33-34/h4-9,11,13-15,18,28H,10,12,16-17H2,1-3H3,(H,31,38)
    MOLECULAR FORMULA
    C29H30N6O5
    CROSS REFERENCES
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    canSAR1746497
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.23
    AlogP3.69
    HBond donors1
    HBond acceptors11
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746497.