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canSAR1429429
FEATURES
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NAMES
    SMILES
    COCCOC(C/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)C(/C=N/CC(OCCOC)OCCOC)C(=O)C(O)=C4C(C)C)c(O)c12)OCCOC
    InChI
    InChI=1S/C46H64N2O14/c1-25(2)35-29-19-27(5)37(43(51)39(29)31(41(49)45(35)53)21-47-23-33(59-15-11-55-7)60-16-12-56-8)38-28(6)20-30-36(26(3)4)46(54)42(50)32(40(30)44(38)52)22-48-24-34(61-17-13-57-9)62-18-14-58-10/h19-22,25-26,31,33-34,50-54H,11-18,23-24H2,1-10H3/b47-21+,48-22+
    MOLECULAR FORMULA
    C46H64N2O14
    CROSS REFERENCES
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    canSAR1429429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 868.44
    AlogP 6.45
    HBond donors 5
    HBond acceptors 16
    Atoms 126
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1429429.