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canSAR2020834
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(C(F)(F)F)ccc2F)cc1)C(=O)O
    InChI
    InChI=1S/C28H33F4N3O5/c1-16(2)25(27(38)39)40-21-8-5-17(6-9-21)15-34-26(37)23-4-3-11-35(23)24(36)14-20(33)13-18-12-19(28(30,31)32)7-10-22(18)29/h5-10,12,16,20,23,25H,3-4,11,13-15,33H2,1-2H3,(H,34,37)(H,38,39)/p+1/t20?,23-,25+/m0/s1
    MOLECULAR FORMULA
    C28H34F4N3O5+
    CROSS REFERENCES
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    canSAR2020834

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.24
    AlogP 3.18
    HBond donors 5
    HBond acceptors 8
    Atoms 74
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2020834.