canSAR824269
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)OCCCN(CCCCc4ccccc4)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O
    InChI
    InChI=1S/C50H80N2O16/c1-11-39(56)65-38-28-40(57)62-26-18-24-52(23-17-16-21-35-19-14-13-15-20-35)30-37(55)31(3)27-36(22-25-53)46(47(38)60-10)67-49-44(58)43(51(8)9)45(33(5)64-49)66-41-29-50(7,68-34(6)54)42(32(4)63-41)48(59)61-12-2/h13-15,19-20,25,31-33,36-38,41-47,49,55,58H,11-12,16-18,21-24,26-30H2,1-10H3/t31-,32+,33-,36+,37+,38-,41+,42-,43-,44-,45-,46+,47+,49+,50-/m1/s1
    MOLECULAR FORMULA
    C50H80N2O16
    CROSS REFERENCES
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    canSAR824269
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight964.55
    AlogP4.02
    HBond donors2
    HBond acceptors18
    Atoms148
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824269.