canSAR1387315
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(c1ccncc1)N1C[C@H]2CCN(c3cccnc3)C[C@@H]2C1
    InChI
    InChI=1S/C18H20N4O.C2HF3O2/c23-18(14-3-7-19-8-4-14)22-11-15-5-9-21(12-16(15)13-22)17-2-1-6-20-10-17;3-2(4,5)1(6)7/h1-4,6-8,10,15-16H,5,9,11-13H2;(H,6,7)
    MOLECULAR FORMULA
    C20H21F3N4O3
    CROSS REFERENCES
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    canSAR1387315
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight422.16
    AlogP2.71
    HBond donors1
    HBond acceptors7
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387315.