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canSAR1691091
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NAMES
    SMILES
    O=c1[nH]c(Cc2ccccc2-c2cc(C(F)(F)F)ccn2)nc2c1cnn2C1CCOCC1
    InChI
    InChI=1S/C23H20F3N5O2/c24-23(25,26)15-5-8-27-19(12-15)17-4-2-1-3-14(17)11-20-29-21-18(22(32)30-20)13-28-31(21)16-6-9-33-10-7-16/h1-5,8,12-13,16H,6-7,9-11H2,(H,29,30,32)
    MOLECULAR FORMULA
    C23H20F3N5O2
    CROSS REFERENCES
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    canSAR1691091

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.16
    AlogP 4.14
    HBond donors 1
    HBond acceptors 7
    Atoms 53
    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 canSAR1691091.