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canSAR562938
FEATURES
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NAMES
    SMILES
    CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCN)OCO3.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C23H21N3O6.C2HF3O2/c1-2-23(29)15-6-17-20-13(8-26(17)21(27)14(15)9-30-22(23)28)11(3-4-24)12-5-18-19(32-10-31-18)7-16(12)25-20;3-2(4,5)1(6)7/h5-7,29H,2-4,8-10,24H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C25H22F3N3O8
    CROSS REFERENCES
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    canSAR562938

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.14
    AlogP 1.94
    HBond donors 4
    HBond acceptors 11
    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 canSAR562938.