canSAR286474
FEATURES
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NAMES
    SMILES
    CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O.Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C22H26O5.C10H13N5O4/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h8-12,18,24H,6-7H2,1-5H3;3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t11-,12-,18+;/m1./s1
    MOLECULAR FORMULA
    C32H39N5O9
    CROSS REFERENCES
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    canSAR286474
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight637.27
    AlogP4.18
    HBond donors3
    HBond acceptors14
    Atoms85
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR286474.