canSAR2097929
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](CCCCN)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4
    InChI
    InChI=1S/C46H65N3O14/c1-11-60-45(58)30(17-12-13-19-47)48-21-29-35-40(55)33-32(39(29)54)34-42(27(7)38(33)53)63-46(9,43(34)56)61-20-18-31(59-10)24(4)41(62-28(8)50)26(6)37(52)25(5)36(51)22(2)15-14-16-23(3)44(57)49-35/h14-16,18,20,22,24-26,30-31,36-37,41,48,51-55H,11-13,17,19,21,47H2,1-10H3,(H,49,57)/b15-14+,20-18+,23-16-/t22-,24+,25+,26+,30-,31-,36-,37+,41+,46-/m0/s1
    MOLECULAR FORMULA
    C46H65N3O14
    CROSS REFERENCES
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    canSAR2097929
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight883.45
    AlogP4.90
    HBond donors9
    HBond acceptors17
    Atoms128
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2097929.