canSAR1830004
FEATURES
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NAMES
    SMILES
    COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)c1
    InChI
    InChI=1S/C22H20N6O3/c1-31-17-9-4-8-16(12-17)28-21-20(24-25-28)22(30)26(14-23-21)13-19(29)27-11-5-7-15-6-2-3-10-18(15)27/h2-4,6,8-10,12,14H,5,7,11,13H2,1H3
    MOLECULAR FORMULA
    C22H20N6O3
    CROSS REFERENCES
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    canSAR1830004
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight416.16
    AlogP1.97
    HBond donors0
    HBond acceptors9
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830004.