canSAR4175
FEATURES
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NAMES
    SMILES
    COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)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/C48H67N3O11/c1-27-19-18-20-28(2)47(58)50-39-34(26-49-51-22-16-14-12-10-11-13-15-17-23-51)25-35-37(43(39)56)42(55)32(6)45-38(35)46(57)48(8,62-45)60-24-21-36(59-9)29(3)44(61-33(7)52)31(5)41(54)30(4)40(27)53/h18-21,24-27,29-31,36,40-41,44,53-56H,10-17,22-23H2,1-9H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+
    MOLECULAR FORMULA
    C48H67N3O11
    CROSS REFERENCES
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    canSAR4175
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight861.48
    AlogP7.82
    HBond donors5
    HBond acceptors14
    Atoms129
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR4175.