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canSAR1619314
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O
    InChI
    InChI=1S/C37H45F4N5O6/c1-23-20-46(24(2)22-47)34(48)31-19-30(43-35(49)42-28-12-8-26(9-13-28)37(39,40)41)16-17-32(31)52-25(3)7-5-6-18-51-33(23)21-45(4)36(50)44-29-14-10-27(38)11-15-29/h8-17,19,23-25,33,47H,5-7,18,20-22H2,1-4H3,(H,44,50)(H2,42,43,49)/t23-,24+,25-,33+/m1/s1
    MOLECULAR FORMULA
    C37H45F4N5O6
    CROSS REFERENCES
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    canSAR1619314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 731.33
    AlogP 7.45
    HBond donors 4
    HBond acceptors 11
    Atoms 97
    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 canSAR1619314.