canSAR2060853
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)cc2n3C3(CCC3)Oc3cc(-c4cnc([C@@H]5C[C@@H](F)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc(F)c3-2)[nH]1)C(C)C
    InChI
    InChI=1S/C46H53F2N9O7/c1-23(2)38(53-44(60)62-5)42(58)55-14-7-9-33(55)40-49-20-30(51-40)25-10-11-32-27(15-25)17-34-37-29(48)16-26(18-36(37)64-46(57(32)34)12-8-13-46)31-21-50-41(52-31)35-19-28(47)22-56(35)43(59)39(24(3)4)54-45(61)63-6/h10-11,15-18,20-21,23-24,28,33,35,38-39H,7-9,12-14,19,22H2,1-6H3,(H,49,51)(H,50,52)(H,53,60)(H,54,61)/t28-,33+,35+,38+,39+/m1/s1
    MOLECULAR FORMULA
    C46H53F2N9O7
    CROSS REFERENCES
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    canSAR2060853
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight881.40
    AlogP7.49
    HBond donors4
    HBond acceptors16
    Atoms117
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2060853.