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canSAR1068641
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NAMES
    SMILES
    O=C(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)n1
    InChI
    InChI=1S/C17H20F3N5O3/c18-17(19,20)13-8-24(10-21-13)12(7-11-3-1-2-4-11)16(28)22-14-5-6-25(23-14)9-15(26)27/h5-6,8,10-12H,1-4,7,9H2,(H,26,27)(H,22,23,28)/t12-/m0/s1
    MOLECULAR FORMULA
    C17H20F3N5O3
    CROSS REFERENCES
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    canSAR1068641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.15
    AlogP 2.94
    HBond donors 2
    HBond acceptors 8
    Atoms 48
    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 canSAR1068641.