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canSAR659800
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NAMES
    SMILES
    NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccnc3N3CCOCC3)cc1-2
    InChI
    InChI=1S/C28H25FN6O3/c29-18-5-8-20(9-6-18)35-25-21(24(33-35)26(30)36)10-4-17-3-7-19(16-23(17)25)32-28(37)22-2-1-11-31-27(22)34-12-14-38-15-13-34/h1-3,5-9,11,16H,4,10,12-15H2,(H2,30,36)(H,32,37)
    MOLECULAR FORMULA
    C28H25FN6O3
    CROSS REFERENCES
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    canSAR659800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.20
    AlogP 3.36
    HBond donors 3
    HBond acceptors 9
    Atoms 63
    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 canSAR659800.