canSAR389722
FEATURES
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NAMES
    SMILES
    COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCNCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C
    InChI
    InChI=1S/C42H56N4O11/c1-21-11-10-12-22(2)41(53)45-33-28(20-44-46-16-14-43-15-17-46)19-29-31(37(33)51)36(50)26(6)39-32(29)40(52)42(8,57-39)55-18-13-30(54-9)23(3)38(56-27(7)47)25(5)35(49)24(4)34(21)48/h10-13,18-21,23-25,30,34-35,38,43,48-51H,14-17H2,1-9H3,(H,45,53)/b11-10+,18-13+,22-12-,44-20+
    MOLECULAR FORMULA
    C42H56N4O11
    CROSS REFERENCES
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    canSAR389722
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight792.39
    AlogP4.29
    HBond donors6
    HBond acceptors15
    Atoms113
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR389722.