canSAR2096113
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CN2C[C@@H]3OCCN(CCN4CCCC4)[C@@H]3C2)ccn1
    InChI
    InChI=1S/C18H28N4O.4C2HF3O2/c1-2-8-20(7-1)9-10-22-11-12-23-18-15-21(14-17(18)22)13-16-3-5-19-6-4-16;4*3-2(4,5)1(6)7/h3-6,17-18H,1-2,7-15H2;4*(H,6,7)/t17-,18+;;;;/m1..../s1
    MOLECULAR FORMULA
    C26H32F12N4O9
    CROSS REFERENCES
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    canSAR2096113
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight772.20
    AlogP3.60
    HBond donors4
    HBond acceptors13
    Atoms83
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096113.