canSAR2063513
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCOc4ccc5c(c4)-c4nc6ccc(F)cc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C42H49FN8O6/c1-24-21-50(40(55)47-39(24)54)35-19-32(33(23-52)57-35)51-22-26(48-49-51)20-44-34(53)9-6-5-7-16-56-27-11-12-29-28(18-27)36-37(38-41(2,3)14-8-15-42(29,38)4)46-31-17-25(43)10-13-30(31)45-36/h10-13,17-18,21-22,32-33,35,38,52H,5-9,14-16,19-20,23H2,1-4H3,(H,44,53)(H,47,54,55)/t32-,33+,35+,38+,42+/m0/s1
    MOLECULAR FORMULA
    C42H49FN8O6
    CROSS REFERENCES
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    canSAR2063513
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight780.38
    AlogP5.53
    HBond donors3
    HBond acceptors14
    Atoms106
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063513.