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canSAR1066684
FEATURES
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NAMES
    SMILES
    C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(=S)N/N=C/c6cc(C(F)(F)F)cc(C(F)(F)F)c6)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2
    InChI
    InChI=1S/C43H57F6N3O7S/c1-21-7-12-41(56-20-21)22(2)33-31(59-41)17-30-28-6-5-24-16-27(8-10-39(24,3)29(28)9-11-40(30,33)4)57-37-34(36(55)35(54)32(19-53)58-37)51-38(60)52-50-18-23-13-25(42(44,45)46)15-26(14-23)43(47,48)49/h5,13-15,18,21-22,27-37,53-55H,6-12,16-17,19-20H2,1-4H3,(H2,51,52,60)/b50-18+/t21-,22+,27+,28-,29+,30+,31+,32-,33+,34-,35-,36-,37-,39+,40+,41-/m1/s1
    MOLECULAR FORMULA
    C43H57F6N3O7S
    CROSS REFERENCES
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    canSAR1066684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 873.38
    AlogP 7.08
    HBond donors 5
    HBond acceptors 10
    Atoms 117
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1066684.