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canSAR2096599
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C([C@H]1COC[C@H]2CN(CC3CCCC3)C[C@H]21)N1CCOCC1
    InChI
    InChI=1S/C18H30N2O3.C2HF3O2/c21-18(20-5-7-22-8-6-20)17-13-23-12-15-10-19(11-16(15)17)9-14-3-1-2-4-14;3-2(4,5)1(6)7/h14-17H,1-13H2;(H,6,7)/t15-,16-,17+;/m1./s1
    MOLECULAR FORMULA
    C20H31F3N2O5
    CROSS REFERENCES
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    canSAR2096599

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.22
    AlogP 1.86
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096599.