canSAR2095924
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccncc3)[C@H]2C1
    InChI
    InChI=1S/C18H21N3O2.2C2HF3O2/c22-18(17-4-2-10-23-17)21-12-15-3-1-9-20(16(15)13-21)11-14-5-7-19-8-6-14;2*3-2(4,5)1(6)7/h2,4-8,10,15-16H,1,3,9,11-13H2;2*(H,6,7)/t15-,16+;;/m1../s1
    MOLECULAR FORMULA
    C22H23F6N3O6
    CROSS REFERENCES
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    canSAR2095924
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight539.15
    AlogP3.68
    HBond donors2
    HBond acceptors9
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095924.