canSAR184696
FEATURES
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NAMES
    SMILES
    CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCC#Cc3cccc4c(=O)cc(N5CCOCC5)oc34)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
    InChI
    InChI=1S/C44H52N4O11/c1-25-20-31-38(46-15-9-12-29-11-8-13-30-33(49)24-37(58-42(29)30)48-16-18-57-19-17-48)34(50)23-32(40(31)52)47-43(53)26(2)10-7-14-35(55-5)41(59-44(45)54)28(4)22-27(3)39(51)36(21-25)56-6/h7-8,10-11,13-14,22-25,27,35-36,39,41,46,51H,15-21H2,1-6H3,(H2,45,54)(H,47,53)/b14-7-,26-10+,28-22+/t25-,27+,35+,36+,39-,41+/m1/s1
    MOLECULAR FORMULA
    C44H52N4O11
    CROSS REFERENCES
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    canSAR184696
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight812.36
    AlogP3.35
    HBond donors5
    HBond acceptors15
    Atoms111
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR184696.