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canSAR1619795
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O
    InChI
    InChI=1S/C37H52F3N5O6/c1-24-21-45(25(2)23-46)34(47)31-20-30(42-35(48)41-29-15-13-27(14-16-29)37(38,39)40)17-18-32(31)51-26(3)10-8-9-19-50-33(24)22-44(4)36(49)43-28-11-6-5-7-12-28/h13-18,20,24-26,28,33,46H,5-12,19,21-23H2,1-4H3,(H,43,49)(H2,41,42,48)/t24-,25+,26-,33+/m1/s1
    MOLECULAR FORMULA
    C37H52F3N5O6
    CROSS REFERENCES
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    canSAR1619795

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 719.39
    AlogP 7.12
    HBond donors 4
    HBond acceptors 11
    Atoms 103
    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 canSAR1619795.