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canSAR785567
FEATURES
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NAMES
    SMILES
    CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(SC)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1
    InChI
    InChI=1S/C47H60N4O9S/c1-9-43(55)23-28-24-46(41(53)58-6,37-30(14-18-50(25-28)26-43)31-20-29(61-8)12-13-34(31)48-37)33-21-32-35(22-36(33)57-5)49(4)39-45(32)16-19-51-17-11-15-44(10-2,38(45)51)40(60-27(3)52)47(39,56)42(54)59-7/h11-13,17,20-22,28,38-40,48,55-56H,9-10,14-16,18-19,23-26H2,1-8H3/t28-,38+,39-,40-,43+,44-,45-,46+,47+/m1/s1
    MOLECULAR FORMULA
    C47H60N4O9S
    CROSS REFERENCES
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    canSAR785567

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 856.41
    AlogP 5.06
    HBond donors 3
    HBond acceptors 13
    Atoms 121
    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 canSAR785567.