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canSAR830635
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C45H68N2O6/c1-28(2)31-18-23-45(40(53)46-26-10-8-9-11-37(50)47-33(39(51)52)27-29-12-14-30(48)15-13-29)25-24-43(6)32(38(31)45)16-17-35-42(5)21-20-36(49)41(3,4)34(42)19-22-44(35,43)7/h12-15,31-36,38,48-49H,1,8-11,16-27H2,2-7H3,(H,46,53)(H,47,50)(H,51,52)/t31-,32+,33-,34-,35+,36-,38+,42-,43+,44+,45-/m0/s1
    MOLECULAR FORMULA
    C45H68N2O6
    CROSS REFERENCES
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    canSAR830635

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 732.51
    AlogP 8.20
    HBond donors 5
    HBond acceptors 8
    Atoms 121
    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 canSAR830635.