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canSAR2092900
FEATURES
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NAMES
    SMILES
    Fc1ccccc1CN1C[C@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H28FNO3.C2HF3O2/c21-17-5-2-1-4-16(17)12-22-13-19(20-18(22)6-3-9-24-20)25-14-15-7-10-23-11-8-15;3-2(4,5)1(6)7/h1-2,4-5,15,18-20H,3,6-14H2;(H,6,7)/t18-,19+,20+;/m1./s1
    MOLECULAR FORMULA
    C22H29F4NO5
    CROSS REFERENCES
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    canSAR2092900

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.20
    AlogP 3.63
    HBond donors 1
    HBond acceptors 6
    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 canSAR2092900.