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canSAR828980
FEATURES
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NAMES
    SMILES
    CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCc4nc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c[nH]4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
    InChI
    InChI=1S/C55H75F6N3O12/c1-10-35-18-29(2)17-30(3)19-45(72-8)49-46(73-9)21-32(5)53(70,76-49)50(67)51(68)64-16-12-11-13-40(64)52(69)75-48(33(6)41(65)26-42(35)66)31(4)20-34-14-15-43(44(22-34)71-7)74-28-47-62-27-39(63-47)36-23-37(54(56,57)58)25-38(24-36)55(59,60)61/h18,20,23-25,27,30,32-35,40-41,43-46,48-49,65,70H,10-17,19,21-22,26,28H2,1-9H3,(H,62,63)/b29-18+,31-20+/t30-,32+,33+,34-,35+,40-,41-,43+,44+,45-,46-,48+,49+,53+/m0/s1
    MOLECULAR FORMULA
    C55H75F6N3O12
    CROSS REFERENCES
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    canSAR828980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1083.53
    AlogP 9.13
    HBond donors 3
    HBond acceptors 15
    Atoms 151
    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 canSAR828980.