canSAR39097
FEATURES
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NAMES
    SMILES
    Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCOc3ccc(Cc4cc([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4Cl)cc3)=[N+]1[B-]2(F)F
    InChI
    InChI=1S/C37H43BClF2N3O7/c1-22-17-23(2)43-31(22)20-28-9-8-27(44(28)38(43,40)41)10-14-33(46)42-15-3-4-16-50-29-11-5-24(6-12-29)18-26-19-25(7-13-30(26)39)37-36(49)35(48)34(47)32(21-45)51-37/h5-9,11-13,17,19-20,32,34-37,45,47-49H,3-4,10,14-16,18,21H2,1-2H3,(H,42,46)/t32-,34-,35+,36-,37+/m1/s1
    MOLECULAR FORMULA
    C37H43BClF2N3O7
    CROSS REFERENCES
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    canSAR39097
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight725.29
    AlogP4.22
    HBond donors5
    HBond acceptors10
    Atoms94
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR39097.