canSAR1632016
FEATURES
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NAMES
    SMILES
    Cn1cc(NC(=O)c2ccc3nc4n(c3c2)CCCNC4=O)nc1C(=O)NC1CCCC1
    InChI
    InChI=1S/C22H25N7O3/c1-28-12-17(26-18(28)22(32)24-14-5-2-3-6-14)27-20(30)13-7-8-15-16(11-13)29-10-4-9-23-21(31)19(29)25-15/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,23,31)(H,24,32)(H,27,30)
    MOLECULAR FORMULA
    C22H25N7O3
    CROSS REFERENCES
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    canSAR1632016
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight435.20
    AlogP1.83
    HBond donors3
    HBond acceptors10
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632016.